Showing NP-Card for clematochinenoside A (NP0035411)
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| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-06-20 18:51:49 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-06-30 00:06:23 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0035411 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | clematochinenoside A | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | JEOL Database | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | clematochinenoside A is found in Clematis chinensis. It was first documented in 2010 (Fu, Q., et al.). | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0035411 (clematochinenoside A)
Mrv1652306202120513D
323339 0 0 0 0 999 V2000
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1.1644 -7.9071 6.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3430 -5.4187 3.3663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9093 -6.8223 1.8241 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.0681 -3.9184 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.8518 -1.2132 3.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.6162 0.6419 2.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3226 2.0394 5.5941 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3796 0.1426 6.8128 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6347 0.0404 6.9823 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5034 1.4192 7.6920 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3937 1.9840 5.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1708 4.0802 6.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6286 4.0797 3.7939 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5849 2.7519 2.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3345 3.1878 3.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3583 4.8508 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0188 5.1624 1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5423 2.5077 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.8960 3.3335 -1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2589 5.3902 -1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4167 5.9547 -0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7276 4.0210 -2.6304 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6505 3.1635 -0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6972 5.2135 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4023 0.6442 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8006 1.0377 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5906 3.9190 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
157158 1 0 0 0 0
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127157 1 0 0 0 0
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4 3 2 0 0 0 0
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3160 1 0 0 0 0
153129 1 0 0 0 0
25111 1 0 0 0 0
111113 1 0 0 0 0
70 89 1 0 0 0 0
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75 72 1 0 0 0 0
72 71 1 0 0 0 0
71 70 1 0 0 0 0
75 76 1 0 0 0 0
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113 22 1 0 0 0 0
73 74 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
22 21 1 0 0 0 0
111112 1 0 0 0 0
160159 2 0 0 0 0
25 26 1 0 0 0 0
129128 1 0 0 0 0
159 6 1 0 0 0 0
63 93 1 0 0 0 0
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91 68 1 0 0 0 0
68 65 1 0 0 0 0
65 64 1 0 0 0 0
64 63 1 0 0 0 0
68 69 1 0 0 0 0
91 92 1 0 0 0 0
93 94 1 0 0 0 0
128127 1 0 0 0 0
66 67 1 0 0 0 0
6 5 2 0 0 0 0
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5 4 1 0 0 0 0
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153154 1 0 0 0 0
160161 1 0 0 0 0
6 7 1 0 0 0 0
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3 2 1 0 0 0 0
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13170 1 6 0 0 0
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25180 1 1 0 0 0
22177 1 6 0 0 0
113278 1 1 0 0 0
111276 1 6 0 0 0
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23178 1 0 0 0 0
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110275 1 0 0 0 0
29183 1 0 0 0 0
28182 1 6 0 0 0
33188 1 1 0 0 0
31185 1 0 0 0 0
31186 1 0 0 0 0
31187 1 0 0 0 0
30184 1 1 0 0 0
109274 1 1 0 0 0
27181 1 1 0 0 0
36190 1 1 0 0 0
105270 1 1 0 0 0
106271 1 0 0 0 0
107272 1 6 0 0 0
108273 1 0 0 0 0
35189 1 1 0 0 0
104268 1 0 0 0 0
104269 1 0 0 0 0
39192 1 0 0 0 0
39193 1 0 0 0 0
38191 1 6 0 0 0
40194 1 0 0 0 0
40195 1 0 0 0 0
43199 1 1 0 0 0
44200 1 0 0 0 0
44201 1 0 0 0 0
45202 1 0 0 0 0
45203 1 0 0 0 0
48207 1 6 0 0 0
50210 1 0 0 0 0
49208 1 0 0 0 0
49209 1 0 0 0 0
96257 1 0 0 0 0
96258 1 0 0 0 0
95255 1 0 0 0 0
95256 1 0 0 0 0
52211 1 6 0 0 0
58222 1 0 0 0 0
58223 1 0 0 0 0
57220 1 0 0 0 0
57221 1 0 0 0 0
53212 1 0 0 0 0
53213 1 0 0 0 0
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55214 1 0 0 0 0
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55216 1 0 0 0 0
100262 1 0 0 0 0
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100264 1 0 0 0 0
42196 1 0 0 0 0
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47204 1 0 0 0 0
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56217 1 0 0 0 0
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56219 1 0 0 0 0
114279 1 0 0 0 0
20176 1 1 0 0 0
15171 1 6 0 0 0
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17173 1 0 0 0 0
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18175 1 0 0 0 0
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73232 1 0 0 0 0
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72231 1 1 0 0 0
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63224 1 6 0 0 0
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66226 1 0 0 0 0
66227 1 0 0 0 0
65225 1 1 0 0 0
67228 1 0 0 0 0
101265 1 0 0 0 0
101266 1 0 0 0 0
102267 1 0 0 0 0
161323 1 0 0 0 0
148311 1 0 0 0 0
1162 1 0 0 0 0
1163 1 0 0 0 0
1164 1 0 0 0 0
M END
3D MOL for NP0035411 (clematochinenoside A)
RDKit 3D
323339 0 0 0 0 0 0 0 0999 V2000
-4.9722 5.4147 3.3919 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4159 4.5365 2.4186 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7673 3.4306 2.8993 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7400 2.9979 4.2211 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0035 1.8564 4.5685 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3002 1.1214 3.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4767 -0.0126 4.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1322 -1.0540 3.2707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2822 -2.1204 3.8335 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1948 -2.1283 4.9542 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1410 -3.0794 2.8880 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6160 -4.2484 3.2783 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3399 -5.4544 3.3120 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9889 -5.5007 4.5854 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4035 -5.7321 4.5065 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0759 -5.1742 5.7844 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1539 -3.6404 5.7426 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8928 -3.1485 6.8594 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3739 -5.7373 6.0640 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0726 -6.2240 4.9231 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2558 -5.1680 3.9808 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6197 -4.8210 3.7155 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.6398 -3.9519 2.4458 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5427 -2.5713 2.7727 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7185 -2.0730 3.4202 C 0 0 1 0 0 0 0 0 0 0 0 0
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-9.6670 -0.7588 2.7576 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.7378 -0.8233 1.6408 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.0255 -0.5514 2.2082 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.4456 0.1952 0.5093 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.9765 -0.3020 -0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0428 0.4104 0.3695 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4675 1.0725 1.5002 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.5696 2.4935 1.3285 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4883 3.0597 0.5510 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.4992 2.6660 -0.9487 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2712 3.0828 -1.5613 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0363 2.4506 -2.8383 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.8608 3.5982 -3.8460 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6159 3.5150 -4.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2916 3.3056 -3.9303 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0056 4.6977 -3.2606 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4794 2.2694 -2.7611 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2235 1.4396 -2.4575 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9185 2.1665 -2.7435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7008 2.5187 -4.2370 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2290 3.7809 -4.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0646 2.9998 -4.9119 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4258 2.2059 -6.1754 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2426 1.9235 -7.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0688 1.4805 -6.5547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0100 1.0127 -7.5371 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5533 -0.2800 -8.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4173 -0.5911 -9.5134 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3577 -2.1063 -9.7883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8517 0.1375 -10.7472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8818 -0.1482 -9.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2658 -0.2017 -7.8209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4564 0.8287 -6.9691 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2011 2.1806 -7.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7060 3.2619 -7.2929 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5021 2.0233 -6.6400 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3025 3.2073 -6.6708 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6424 2.8512 -7.0227 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4832 2.4194 -5.9470 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3788 1.2837 -6.4707 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6319 0.0753 -6.6266 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7333 1.9966 -4.6730 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7110 1.6796 -3.6633 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4728 0.4554 -2.9702 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6010 0.6902 -1.8583 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2582 1.1428 -0.6547 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9026 2.5306 -0.8254 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9256 3.2262 0.4207 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2734 0.0959 -0.1135 C 0 0 1 0 0 0 0 0 0 0 0 0
7.6503 -0.5995 0.9951 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5642 -1.3899 1.7628 C 0 0 2 0 0 0 0 0 0 0 0 0
8.6996 -2.6858 1.1535 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4824 -3.4434 1.1728 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7574 -4.7659 0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9731 -3.6725 2.6028 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6933 -4.3278 2.6097 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8481 -2.3417 3.3498 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5873 -2.6049 4.7400 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1137 -1.4999 3.2321 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1432 -2.1079 4.0332 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6782 -0.8888 -1.2311 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9400 -1.5214 -0.9539 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8267 -0.1560 -2.5592 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2994 -1.0762 -3.5599 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8601 3.1635 -4.1789 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8263 2.6766 -3.2961 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2177 3.9635 -5.3283 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8976 5.2293 -5.4247 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4285 0.3269 -5.5113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5726 1.2286 -4.6267 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0689 1.3023 -5.0412 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5382 -0.0953 -4.7376 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8303 1.4445 -2.7508 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9236 0.6480 -1.4157 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9908 0.4049 -3.9005 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0658 -0.6721 -3.8547 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6365 3.1953 -1.6417 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7400 4.6148 -1.5577 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8369 5.0895 -0.1148 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.8851 6.5177 -0.0555 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6304 4.5823 0.6785 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.8186 4.9633 2.0576 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1648 0.6942 2.8324 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3019 0.9352 3.9507 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3653 -3.1096 4.3835 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.9701 -2.4383 5.5062 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3187 -4.1067 4.8983 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.4022 -3.4253 5.7668 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2912 -7.3704 4.2398 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6901 -8.6562 4.7462 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7696 -7.2193 4.4198 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1441 -7.8939 3.3201 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2824 -6.7086 3.0253 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 -6.8280 3.3887 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8506 -6.8668 4.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1631 -7.9992 5.4489 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5295 -5.7391 2.7057 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1640 -6.2682 1.5258 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6969 -4.5302 2.2456 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5662 -3.3843 2.1289 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8381 -3.0110 0.7767 C 0 0 2 0 0 0 0 0 0 0 0 0
4.0470 -2.2428 0.7556 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8838 -0.8365 1.0154 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3876 -0.5448 2.4499 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5853 0.8178 2.8176 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9330 1.1198 3.1933 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2163 0.5471 4.4707 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2794 1.5051 5.5254 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4627 0.7422 6.8336 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4445 2.4871 5.2836 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3278 3.5934 6.1850 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4684 2.9957 3.8278 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5975 2.4125 3.1504 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1658 2.6461 3.0989 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3017 3.0272 1.7175 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2687 3.9084 1.2579 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9854 3.3320 1.4531 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9210 4.1791 0.9879 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5846 3.5764 1.4287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4489 3.7224 2.8466 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0142 4.3105 -0.5358 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9948 5.1738 -1.0449 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3793 4.9031 -0.8922 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5451 4.9378 -2.3204 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5280 4.1337 -0.2433 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7633 4.8463 -0.4593 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0098 -0.1552 -0.0638 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8377 0.5084 -1.0432 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1206 -1.1686 -0.7995 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9740 -0.5016 -1.3421 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6406 -2.2712 0.1350 C 0 0 1 0 0 0 0 0 0 0 0 0
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1.0870 -4.0898 4.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.7694 -1.8441 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6915 -0.7017 1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9385 1.1546 0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4808 -1.2328 -1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0565 -0.4728 -0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7641 0.4299 -1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4097 0.7874 1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5424 2.7672 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.9358 1.8929 -3.1329 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.5479 4.4317 -5.3216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8306 5.0159 -2.6139 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.2201 1.1734 -1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8890 3.0667 -2.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0842 1.5660 -2.3727 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0902 3.6579 -3.5812 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5917 4.0050 -5.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2884 4.6761 -3.8871 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8410 3.9868 -5.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9364 1.2694 -5.9391 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1188 2.7956 -6.7879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3963 2.0067 -8.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0540 1.7931 -8.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5008 -0.2229 -8.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6073 -1.1174 -7.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9183 -2.3681 -10.6928 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7827 -2.6803 -8.9577 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.8382 1.2230 -10.6022 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4550 -0.0710 -11.6381 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5634 -0.7815 -9.8781 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0373 0.8754 -9.6620 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0928 -1.2208 -7.4510 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3468 -0.0445 -7.7351 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9774 3.8668 -7.4842 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1459 3.2630 -5.7139 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7964 1.5441 -7.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2008 1.0866 -5.7752 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2737 -0.6150 -6.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.9647 -0.2558 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4540 1.2486 0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3509 3.1359 -1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9323 2.4603 -1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1876 3.8777 0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1522 0.6137 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5614 -0.9335 1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7229 -2.9162 0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5348 -5.3347 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8560 -5.3823 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1300 -4.5831 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6622 -4.3272 3.1501 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.9953 -1.7816 2.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8148 -3.2017 4.7569 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9335 -0.5041 3.6521 H 0 0 0 0 0 0 0 0 0 0 0 0
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9.7672 -2.1813 -0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6030 0.6149 -2.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0301 -1.5590 -3.1199 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4675 3.8373 -3.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2351 1.9990 -2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1710 4.1800 -5.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3941 5.7751 -6.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4442 0.2992 -5.0955 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.0476 2.2113 -4.6485 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.9708 -7.8108 3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9097 -6.9674 5.1755 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4545 -5.9759 5.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1644 -7.9071 6.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3430 -5.4187 3.3663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9093 -6.8223 1.8241 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2268 -4.7411 1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0681 -3.9184 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8922 -0.4310 0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8518 -1.2132 3.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3112 -0.7305 2.5174 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6162 0.6419 2.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3226 2.0394 5.5941 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3796 0.1426 6.8128 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6347 0.0404 6.9823 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5034 1.4192 7.6920 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3937 1.9840 5.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1708 4.0802 6.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6286 4.0797 3.7939 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5849 2.7519 2.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3345 3.1878 3.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3583 4.8508 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0188 5.1624 1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5423 2.5077 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2606 4.0902 0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3904 3.2931 3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8960 3.3335 -1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2589 5.3902 -1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4167 5.9547 -0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7276 4.0210 -2.6304 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6505 3.1635 -0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6972 5.2135 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4023 0.6442 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5770 -0.0814 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6491 -1.5995 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3117 -1.1914 -1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0000 -1.8333 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3103 -3.6185 -1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8006 1.0377 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5906 3.9190 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
157158 1 0
28 27 1 0
27109 1 0
109 33 1 0
33 32 1 0
32 30 1 0
30 28 1 0
33 34 1 0
27 26 1 0
8 9 1 0
9 10 2 0
142151 1 0
9 11 1 0
130131 1 0
151149 1 0
149147 1 0
36 35 1 0
35107 1 0
107105 1 0
105104 1 0
104103 1 0
103 36 1 0
105106 1 0
107108 1 0
35 34 1 0
39 38 1 0
147144 1 0
144143 1 0
143142 1 0
39 40 1 0
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149150 1 0
151152 1 0
41 48 1 0
43 44 1 0
44 45 1 0
45 46 1 0
48 46 1 0
81 83 1 0
83 85 1 0
85 77 1 0
77 78 1 0
48 49 1 0
46 97 1 0
51 50 2 0
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78 79 1 0
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77 76 1 0
51 52 1 0
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96 95 1 0
95 59 1 0
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83 84 1 0
136138 1 0
138140 1 0
140132 1 0
52 53 1 0
59 58 1 0
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54 53 1 0
132133 1 0
97 98 1 1
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54 55 1 6
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59 60 1 1
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99100 1 1
41 42 1 1
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13 12 1 0
60 62 1 0
12125 1 0
60 61 2 0
125123 1 0
113114 1 0
123120 1 0
120119 1 0
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123124 1 0
125126 1 0
12 11 1 0
138139 1 0
20115 1 0
115117 1 0
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15 16 1 0
16 19 1 0
19 20 1 0
15 14 1 0
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115116 1 0
121122 1 0
17 18 1 0
145146 1 0
142141 1 0
127157 1 0
157155 1 0
4 3 2 0
155153 1 0
3160 1 0
153129 1 0
25111 1 0
111113 1 0
70 89 1 0
89 87 1 0
87 75 1 0
75 72 1 0
72 71 1 0
71 70 1 0
75 76 1 0
87 88 1 0
89 90 1 0
113 22 1 0
73 74 1 0
22 23 1 0
23 24 1 0
24 25 1 0
22 21 1 0
111112 1 0
160159 2 0
25 26 1 0
129128 1 0
159 6 1 0
63 93 1 0
93 91 1 0
91 68 1 0
68 65 1 0
65 64 1 0
64 63 1 0
68 69 1 0
91 92 1 0
93 94 1 0
128127 1 0
66 67 1 0
6 5 2 0
99101 1 0
5 4 1 0
101102 1 0
153154 1 0
160161 1 0
6 7 1 0
147148 1 0
155156 1 0
3 2 1 0
7 8 2 0
2 1 1 0
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129130 1 0
127126 1 0
136137 1 0
134135 1 0
140141 1 0
81 82 1 0
79 80 1 0
85 86 1 0
120121 1 0
13 14 1 0
28 29 1 0
30 31 1 0
109110 1 0
36 37 1 0
20 21 1 0
16 17 1 0
70 69 1 0
72 73 1 0
63 62 1 0
65 66 1 0
142305 1 1
147310 1 6
149312 1 1
150313 1 0
151314 1 6
152315 1 0
145307 1 0
145308 1 0
144306 1 1
146309 1 0
154317 1 0
127291 1 6
153316 1 1
155318 1 6
156319 1 0
157320 1 1
158321 1 0
130293 1 0
130294 1 0
129292 1 1
137301 1 0
136300 1 1
132295 1 6
135297 1 0
135298 1 0
135299 1 0
134296 1 1
140304 1 1
138302 1 1
139303 1 0
4165 1 0
159322 1 0
5166 1 0
7167 1 0
8168 1 0
86246 1 0
82242 1 0
81241 1 1
77236 1 1
80238 1 0
80239 1 0
80240 1 0
79237 1 6
85245 1 1
83243 1 6
84244 1 0
13170 1 6
123288 1 1
124289 1 0
125290 1 6
12169 1 1
121285 1 0
121286 1 0
120284 1 6
122287 1 0
25180 1 1
22177 1 6
113278 1 1
111276 1 6
112277 1 0
23178 1 0
23179 1 0
110275 1 0
29183 1 0
28182 1 6
33188 1 1
31185 1 0
31186 1 0
31187 1 0
30184 1 1
109274 1 1
27181 1 1
36190 1 1
105270 1 1
106271 1 0
107272 1 6
108273 1 0
35189 1 1
104268 1 0
104269 1 0
39192 1 0
39193 1 0
38191 1 6
40194 1 0
40195 1 0
43199 1 1
44200 1 0
44201 1 0
45202 1 0
45203 1 0
48207 1 6
50210 1 0
49208 1 0
49209 1 0
96257 1 0
96258 1 0
95255 1 0
95256 1 0
52211 1 6
58222 1 0
58223 1 0
57220 1 0
57221 1 0
53212 1 0
53213 1 0
98259 1 0
98260 1 0
98261 1 0
55214 1 0
55215 1 0
55216 1 0
100262 1 0
100263 1 0
100264 1 0
42196 1 0
42197 1 0
42198 1 0
47204 1 0
47205 1 0
47206 1 0
56217 1 0
56218 1 0
56219 1 0
114279 1 0
20176 1 1
15171 1 6
117282 1 1
118283 1 0
115280 1 6
116281 1 0
17173 1 0
17174 1 0
16172 1 1
18175 1 0
70230 1 6
75235 1 1
87247 1 6
88248 1 0
89249 1 1
90250 1 0
73232 1 0
73233 1 0
72231 1 1
74234 1 0
63224 1 6
68229 1 6
91251 1 1
92252 1 0
93253 1 1
94254 1 0
66226 1 0
66227 1 0
65225 1 1
67228 1 0
101265 1 0
101266 1 0
102267 1 0
161323 1 0
148311 1 0
1162 1 0
1163 1 0
1164 1 0
M END
3D SDF for NP0035411 (clematochinenoside A)
Mrv1652306202120513D
323339 0 0 0 0 999 V2000
-4.9722 5.4147 3.3919 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4159 4.5365 2.4186 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7673 3.4306 2.8993 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7400 2.9979 4.2211 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0035 1.8564 4.5685 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3002 1.1214 3.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4767 -0.0126 4.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1322 -1.0540 3.2707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2822 -2.1204 3.8335 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1948 -2.1283 4.9542 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1410 -3.0794 2.8880 O 0 0 0 0 0 0 0 0 0 0 0 0
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7.3937 1.9840 5.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1708 4.0802 6.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6286 4.0797 3.7939 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5849 2.7519 2.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3345 3.1878 3.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3583 4.8508 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0188 5.1624 1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5423 2.5077 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2606 4.0902 0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3904 3.2931 3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8960 3.3335 -1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2589 5.3902 -1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4167 5.9547 -0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7276 4.0210 -2.6304 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6505 3.1635 -0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6972 5.2135 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4023 0.6442 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5770 -0.0814 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6491 -1.5995 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3117 -1.1914 -1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0000 -1.8333 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3103 -3.6185 -1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8006 1.0377 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5906 3.9190 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
157158 1 0 0 0 0
28 27 1 0 0 0 0
27109 1 0 0 0 0
109 33 1 0 0 0 0
33 32 1 0 0 0 0
32 30 1 0 0 0 0
30 28 1 0 0 0 0
33 34 1 0 0 0 0
27 26 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
142151 1 0 0 0 0
9 11 1 0 0 0 0
130131 1 0 0 0 0
151149 1 0 0 0 0
149147 1 0 0 0 0
36 35 1 0 0 0 0
35107 1 0 0 0 0
107105 1 0 0 0 0
105104 1 0 0 0 0
104103 1 0 0 0 0
103 36 1 0 0 0 0
105106 1 0 0 0 0
107108 1 0 0 0 0
35 34 1 0 0 0 0
39 38 1 0 0 0 0
147144 1 0 0 0 0
144143 1 0 0 0 0
143142 1 0 0 0 0
39 40 1 0 0 0 0
38 99 1 0 0 0 0
99 43 1 0 0 0 0
41 40 1 0 0 0 0
41 43 1 0 0 0 0
149150 1 0 0 0 0
151152 1 0 0 0 0
41 48 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
48 46 1 0 0 0 0
81 83 1 0 0 0 0
83 85 1 0 0 0 0
85 77 1 0 0 0 0
77 78 1 0 0 0 0
48 49 1 0 0 0 0
46 97 1 0 0 0 0
51 50 2 0 0 0 0
50 49 1 0 0 0 0
51 97 1 0 0 0 0
78 79 1 0 0 0 0
79 81 1 0 0 0 0
77 76 1 0 0 0 0
51 52 1 0 0 0 0
97 96 1 0 0 0 0
96 95 1 0 0 0 0
95 59 1 0 0 0 0
52 59 1 0 0 0 0
83 84 1 0 0 0 0
136138 1 0 0 0 0
138140 1 0 0 0 0
140132 1 0 0 0 0
52 53 1 0 0 0 0
59 58 1 0 0 0 0
58 57 1 0 0 0 0
57 54 1 0 0 0 0
54 53 1 0 0 0 0
132133 1 0 0 0 0
97 98 1 1 0 0 0
133134 1 0 0 0 0
54 55 1 6 0 0 0
134136 1 0 0 0 0
59 60 1 1 0 0 0
38 37 1 0 0 0 0
132131 1 0 0 0 0
99100 1 1 0 0 0
41 42 1 1 0 0 0
46 47 1 1 0 0 0
54 56 1 0 0 0 0
13 12 1 0 0 0 0
60 62 1 0 0 0 0
12125 1 0 0 0 0
60 61 2 0 0 0 0
125123 1 0 0 0 0
113114 1 0 0 0 0
123120 1 0 0 0 0
120119 1 0 0 0 0
119 13 1 0 0 0 0
123124 1 0 0 0 0
125126 1 0 0 0 0
12 11 1 0 0 0 0
138139 1 0 0 0 0
20115 1 0 0 0 0
115117 1 0 0 0 0
117 15 1 0 0 0 0
15 16 1 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
15 14 1 0 0 0 0
117118 1 0 0 0 0
115116 1 0 0 0 0
121122 1 0 0 0 0
17 18 1 0 0 0 0
145146 1 0 0 0 0
142141 1 0 0 0 0
127157 1 0 0 0 0
157155 1 0 0 0 0
4 3 2 0 0 0 0
155153 1 0 0 0 0
3160 1 0 0 0 0
153129 1 0 0 0 0
25111 1 0 0 0 0
111113 1 0 0 0 0
70 89 1 0 0 0 0
89 87 1 0 0 0 0
87 75 1 0 0 0 0
75 72 1 0 0 0 0
72 71 1 0 0 0 0
71 70 1 0 0 0 0
75 76 1 0 0 0 0
87 88 1 0 0 0 0
89 90 1 0 0 0 0
113 22 1 0 0 0 0
73 74 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
22 21 1 0 0 0 0
111112 1 0 0 0 0
160159 2 0 0 0 0
25 26 1 0 0 0 0
129128 1 0 0 0 0
159 6 1 0 0 0 0
63 93 1 0 0 0 0
93 91 1 0 0 0 0
91 68 1 0 0 0 0
68 65 1 0 0 0 0
65 64 1 0 0 0 0
64 63 1 0 0 0 0
68 69 1 0 0 0 0
91 92 1 0 0 0 0
93 94 1 0 0 0 0
128127 1 0 0 0 0
66 67 1 0 0 0 0
6 5 2 0 0 0 0
99101 1 0 0 0 0
5 4 1 0 0 0 0
101102 1 0 0 0 0
153154 1 0 0 0 0
160161 1 0 0 0 0
6 7 1 0 0 0 0
147148 1 0 0 0 0
155156 1 0 0 0 0
3 2 1 0 0 0 0
7 8 2 0 0 0 0
2 1 1 0 0 0 0
144145 1 0 0 0 0
129130 1 0 0 0 0
127126 1 0 0 0 0
136137 1 0 0 0 0
134135 1 0 0 0 0
140141 1 0 0 0 0
81 82 1 0 0 0 0
79 80 1 0 0 0 0
85 86 1 0 0 0 0
120121 1 0 0 0 0
13 14 1 0 0 0 0
28 29 1 0 0 0 0
30 31 1 0 0 0 0
109110 1 0 0 0 0
36 37 1 0 0 0 0
20 21 1 0 0 0 0
16 17 1 0 0 0 0
70 69 1 0 0 0 0
72 73 1 0 0 0 0
63 62 1 0 0 0 0
65 66 1 0 0 0 0
142305 1 1 0 0 0
147310 1 6 0 0 0
149312 1 1 0 0 0
150313 1 0 0 0 0
151314 1 6 0 0 0
152315 1 0 0 0 0
145307 1 0 0 0 0
145308 1 0 0 0 0
144306 1 1 0 0 0
146309 1 0 0 0 0
154317 1 0 0 0 0
127291 1 6 0 0 0
153316 1 1 0 0 0
155318 1 6 0 0 0
156319 1 0 0 0 0
157320 1 1 0 0 0
158321 1 0 0 0 0
130293 1 0 0 0 0
130294 1 0 0 0 0
129292 1 1 0 0 0
137301 1 0 0 0 0
136300 1 1 0 0 0
132295 1 6 0 0 0
135297 1 0 0 0 0
135298 1 0 0 0 0
135299 1 0 0 0 0
134296 1 1 0 0 0
140304 1 1 0 0 0
138302 1 1 0 0 0
139303 1 0 0 0 0
4165 1 0 0 0 0
159322 1 0 0 0 0
5166 1 0 0 0 0
7167 1 0 0 0 0
8168 1 0 0 0 0
86246 1 0 0 0 0
82242 1 0 0 0 0
81241 1 1 0 0 0
77236 1 1 0 0 0
80238 1 0 0 0 0
80239 1 0 0 0 0
80240 1 0 0 0 0
79237 1 6 0 0 0
85245 1 1 0 0 0
83243 1 6 0 0 0
84244 1 0 0 0 0
13170 1 6 0 0 0
123288 1 1 0 0 0
124289 1 0 0 0 0
125290 1 6 0 0 0
12169 1 1 0 0 0
121285 1 0 0 0 0
121286 1 0 0 0 0
120284 1 6 0 0 0
122287 1 0 0 0 0
25180 1 1 0 0 0
22177 1 6 0 0 0
113278 1 1 0 0 0
111276 1 6 0 0 0
112277 1 0 0 0 0
23178 1 0 0 0 0
23179 1 0 0 0 0
110275 1 0 0 0 0
29183 1 0 0 0 0
28182 1 6 0 0 0
33188 1 1 0 0 0
31185 1 0 0 0 0
31186 1 0 0 0 0
31187 1 0 0 0 0
30184 1 1 0 0 0
109274 1 1 0 0 0
27181 1 1 0 0 0
36190 1 1 0 0 0
105270 1 1 0 0 0
106271 1 0 0 0 0
107272 1 6 0 0 0
108273 1 0 0 0 0
35189 1 1 0 0 0
104268 1 0 0 0 0
104269 1 0 0 0 0
39192 1 0 0 0 0
39193 1 0 0 0 0
38191 1 6 0 0 0
40194 1 0 0 0 0
40195 1 0 0 0 0
43199 1 1 0 0 0
44200 1 0 0 0 0
44201 1 0 0 0 0
45202 1 0 0 0 0
45203 1 0 0 0 0
48207 1 6 0 0 0
50210 1 0 0 0 0
49208 1 0 0 0 0
49209 1 0 0 0 0
96257 1 0 0 0 0
96258 1 0 0 0 0
95255 1 0 0 0 0
95256 1 0 0 0 0
52211 1 6 0 0 0
58222 1 0 0 0 0
58223 1 0 0 0 0
57220 1 0 0 0 0
57221 1 0 0 0 0
53212 1 0 0 0 0
53213 1 0 0 0 0
98259 1 0 0 0 0
98260 1 0 0 0 0
98261 1 0 0 0 0
55214 1 0 0 0 0
55215 1 0 0 0 0
55216 1 0 0 0 0
100262 1 0 0 0 0
100263 1 0 0 0 0
100264 1 0 0 0 0
42196 1 0 0 0 0
42197 1 0 0 0 0
42198 1 0 0 0 0
47204 1 0 0 0 0
47205 1 0 0 0 0
47206 1 0 0 0 0
56217 1 0 0 0 0
56218 1 0 0 0 0
56219 1 0 0 0 0
114279 1 0 0 0 0
20176 1 1 0 0 0
15171 1 6 0 0 0
117282 1 1 0 0 0
118283 1 0 0 0 0
115280 1 6 0 0 0
116281 1 0 0 0 0
17173 1 0 0 0 0
17174 1 0 0 0 0
16172 1 1 0 0 0
18175 1 0 0 0 0
70230 1 6 0 0 0
75235 1 1 0 0 0
87247 1 6 0 0 0
88248 1 0 0 0 0
89249 1 1 0 0 0
90250 1 0 0 0 0
73232 1 0 0 0 0
73233 1 0 0 0 0
72231 1 1 0 0 0
74234 1 0 0 0 0
63224 1 6 0 0 0
68229 1 6 0 0 0
91251 1 1 0 0 0
92252 1 0 0 0 0
93253 1 1 0 0 0
94254 1 0 0 0 0
66226 1 0 0 0 0
66227 1 0 0 0 0
65225 1 1 0 0 0
67228 1 0 0 0 0
101265 1 0 0 0 0
101266 1 0 0 0 0
102267 1 0 0 0 0
161323 1 0 0 0 0
148311 1 0 0 0 0
1162 1 0 0 0 0
1163 1 0 0 0 0
1164 1 0 0 0 0
M END
> <DATABASE_ID>
NP0035411
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C([H])C(\C([H])=C(/[H])C(=O)O[C@@]2([H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@]4([H])C([H])([H])O[C@@]([H])(O[C@@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[C@@]7([H])C([H])([H])C([H])([H])[C@@]8(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@]9(C([H])([H])[H])[C@@]8([H])C([H])([H])C([H])=C8[C@]%10([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]%10(C(=O)O[C@]%10([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]%11([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]%12([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]%12([H])O[H])[C@]([H])(O[H])[C@@]%11([H])O[H])[C@]([H])(O[H])[C@@]%10([H])O[H])C([H])([H])C([H])([H])[C@@]98C([H])([H])[H])[C@]7(C([H])([H])[H])C([H])([H])O[H])OC([H])([H])[C@]([H])(O[H])[C@@]6([H])O[H])O[C@@]([H])(C([H])([H])[H])[C@]5([H])O[H])[C@]([H])(O[H])[C@]4([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C([H])=C1OC([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C104H162O57/c1-36-56(114)64(122)72(130)88(142-36)154-79-47(29-107)148-92(76(134)69(79)127)155-80-48(30-108)149-93(77(135)70(80)128)161-98(137)104-23-21-99(4,5)26-41(104)40-13-15-53-100(6)19-18-54(101(7,35-110)52(100)17-20-103(53,9)102(40,8)22-24-104)152-96-84(59(117)43(112)32-139-96)159-94-78(136)82(58(116)38(3)143-94)157-87-71(129)62(120)51(33-140-87)150-89-75(133)68(126)81(49(31-109)147-89)156-97-86(153-55(113)16-12-39-11-14-44(138-10)42(111)25-39)83(63(121)46(28-106)146-97)158-91-74(132)66(124)61(119)50(151-91)34-141-95-85(67(125)57(115)37(2)144-95)160-90-73(131)65(123)60(118)45(27-105)145-90/h11-14,16,25,36-38,41,43,45-54,56-97,105-112,114-136H,15,17-24,26-35H2,1-10H3/b16-12+/t36-,37-,38-,41-,43-,45+,46+,47+,48+,49+,50+,51+,52-,53-,54-,56-,57-,58-,59+,60+,61+,62+,63+,64+,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84+,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,100-,101-,102+,103+,104-/m0/s1
> <INCHI_KEY>
ZJEIOKJOHLOFEP-MTRCQXIQSA-N
> <FORMULA>
C104H162O57
> <MOLECULAR_WEIGHT>
2324.383
> <EXACT_MASS>
2322.977788556
> <JCHEM_ACCEPTOR_COUNT>
55
> <JCHEM_ATOM_COUNT>
323
> <JCHEM_AVERAGE_POLARIZABILITY>
229.68181822035325
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
31
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aS,9R,10S,12aR,12bS,14bS)-10-{[(2S,3R,4R,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4S,5R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-3-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
> <JCHEM_LOGP>
-7.688308358666674
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
17
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.527686259033644
> <JCHEM_PKA_STRONGEST_ACIDIC>
9.814370133135087
> <JCHEM_PKA_STRONGEST_BASIC>
-3.9475478862309936
> <JCHEM_POLAR_SURFACE_AREA>
882.7900000000005
> <JCHEM_REFRACTIVITY>
523.4190999999995
> <JCHEM_ROTATABLE_BOND_COUNT>
35
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aS,9R,10S,12aR,12bS,14bS)-10-{[(2S,3R,4R,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4S,5R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-3-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0035411 (clematochinenoside A)
RDKit 3D
323339 0 0 0 0 0 0 0 0999 V2000
-4.9722 5.4147 3.3919 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4159 4.5365 2.4186 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7673 3.4306 2.8993 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7400 2.9979 4.2211 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0035 1.8564 4.5685 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3002 1.1214 3.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4767 -0.0126 4.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1322 -1.0540 3.2707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2822 -2.1204 3.8335 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1948 -2.1283 4.9542 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1410 -3.0794 2.8880 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6160 -4.2484 3.2783 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3399 -5.4544 3.3120 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9889 -5.5007 4.5854 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4035 -5.7321 4.5065 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0759 -5.1742 5.7844 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1539 -3.6404 5.7426 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8928 -3.1485 6.8594 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3739 -5.7373 6.0640 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0726 -6.2240 4.9231 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2558 -5.1680 3.9808 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6197 -4.8210 3.7155 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.6398 -3.9519 2.4458 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5427 -2.5713 2.7727 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7185 -2.0730 3.4202 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.6408 -1.6975 2.3947 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.6670 -0.7588 2.7576 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.7378 -0.8233 1.6408 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.0255 -0.5514 2.2082 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.4456 0.1952 0.5093 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.9765 -0.3020 -0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0428 0.4104 0.3695 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4675 1.0725 1.5002 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.5696 2.4935 1.3285 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4883 3.0597 0.5510 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.4992 2.6660 -0.9487 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2712 3.0828 -1.5613 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0363 2.4506 -2.8383 C 0 0 1 0 0 0 0 0 0 0 0 0
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103 36 1 0
105106 1 0
107108 1 0
35 34 1 0
39 38 1 0
147144 1 0
144143 1 0
143142 1 0
39 40 1 0
38 99 1 0
99 43 1 0
41 40 1 0
41 43 1 0
149150 1 0
151152 1 0
41 48 1 0
43 44 1 0
44 45 1 0
45 46 1 0
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81 83 1 0
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48 49 1 0
46 97 1 0
51 50 2 0
50 49 1 0
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78 79 1 0
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51 52 1 0
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96 95 1 0
95 59 1 0
52 59 1 0
83 84 1 0
136138 1 0
138140 1 0
140132 1 0
52 53 1 0
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54 53 1 0
132133 1 0
97 98 1 1
133134 1 0
54 55 1 6
134136 1 0
59 60 1 1
38 37 1 0
132131 1 0
99100 1 1
41 42 1 1
46 47 1 1
54 56 1 0
13 12 1 0
60 62 1 0
12125 1 0
60 61 2 0
125123 1 0
113114 1 0
123120 1 0
120119 1 0
119 13 1 0
123124 1 0
125126 1 0
12 11 1 0
138139 1 0
20115 1 0
115117 1 0
117 15 1 0
15 16 1 0
16 19 1 0
19 20 1 0
15 14 1 0
117118 1 0
115116 1 0
121122 1 0
17 18 1 0
145146 1 0
142141 1 0
127157 1 0
157155 1 0
4 3 2 0
155153 1 0
3160 1 0
153129 1 0
25111 1 0
111113 1 0
70 89 1 0
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87 75 1 0
75 72 1 0
72 71 1 0
71 70 1 0
75 76 1 0
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89 90 1 0
113 22 1 0
73 74 1 0
22 23 1 0
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24 25 1 0
22 21 1 0
111112 1 0
160159 2 0
25 26 1 0
129128 1 0
159 6 1 0
63 93 1 0
93 91 1 0
91 68 1 0
68 65 1 0
65 64 1 0
64 63 1 0
68 69 1 0
91 92 1 0
93 94 1 0
128127 1 0
66 67 1 0
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99101 1 0
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153154 1 0
160161 1 0
6 7 1 0
147148 1 0
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3 2 1 0
7 8 2 0
2 1 1 0
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129130 1 0
127126 1 0
136137 1 0
134135 1 0
140141 1 0
81 82 1 0
79 80 1 0
85 86 1 0
120121 1 0
13 14 1 0
28 29 1 0
30 31 1 0
109110 1 0
36 37 1 0
20 21 1 0
16 17 1 0
70 69 1 0
72 73 1 0
63 62 1 0
65 66 1 0
142305 1 1
147310 1 6
149312 1 1
150313 1 0
151314 1 6
152315 1 0
145307 1 0
145308 1 0
144306 1 1
146309 1 0
154317 1 0
127291 1 6
153316 1 1
155318 1 6
156319 1 0
157320 1 1
158321 1 0
130293 1 0
130294 1 0
129292 1 1
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136300 1 1
132295 1 6
135297 1 0
135298 1 0
135299 1 0
134296 1 1
140304 1 1
138302 1 1
139303 1 0
4165 1 0
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25180 1 1
22177 1 6
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38191 1 6
40194 1 0
40195 1 0
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20176 1 1
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70230 1 6
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63224 1 6
68229 1 6
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101265 1 0
101266 1 0
102267 1 0
161323 1 0
148311 1 0
1162 1 0
1163 1 0
1164 1 0
M END
PDB for NP0035411 (clematochinenoside A)HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -4.972 5.415 3.392 0.00 0.00 C+0 HETATM 2 O UNK 0 -4.416 4.537 2.419 0.00 0.00 O+0 HETATM 3 C UNK 0 -3.767 3.431 2.899 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.740 2.998 4.221 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.003 1.856 4.569 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.300 1.121 3.602 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.477 -0.013 4.042 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.132 -1.054 3.271 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.282 -2.120 3.833 0.00 0.00 C+0 HETATM 10 O UNK 0 0.195 -2.128 4.954 0.00 0.00 O+0 HETATM 11 O UNK 0 -0.141 -3.079 2.888 0.00 0.00 O+0 HETATM 12 C UNK 0 0.616 -4.248 3.278 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.340 -5.454 3.312 0.00 0.00 C+0 HETATM 14 O UNK 0 -0.989 -5.501 4.585 0.00 0.00 O+0 HETATM 15 C UNK 0 -2.404 -5.732 4.506 0.00 0.00 C+0 HETATM 16 C UNK 0 -3.076 -5.174 5.784 0.00 0.00 C+0 HETATM 17 C UNK 0 -3.154 -3.640 5.743 0.00 0.00 C+0 HETATM 18 O UNK 0 -3.893 -3.148 6.859 0.00 0.00 O+0 HETATM 19 O UNK 0 -4.374 -5.737 6.064 0.00 0.00 O+0 HETATM 20 C UNK 0 -5.073 -6.224 4.923 0.00 0.00 C+0 HETATM 21 O UNK 0 -5.256 -5.168 3.981 0.00 0.00 O+0 HETATM 22 C UNK 0 -6.620 -4.821 3.716 0.00 0.00 C+0 HETATM 23 C UNK 0 -6.640 -3.952 2.446 0.00 0.00 C+0 HETATM 24 O UNK 0 -6.543 -2.571 2.773 0.00 0.00 O+0 HETATM 25 C UNK 0 -7.718 -2.073 3.420 0.00 0.00 C+0 HETATM 26 O UNK 0 -8.641 -1.698 2.395 0.00 0.00 O+0 HETATM 27 C UNK 0 -9.667 -0.759 2.758 0.00 0.00 C+0 HETATM 28 C UNK 0 -10.738 -0.823 1.641 0.00 0.00 C+0 HETATM 29 O UNK 0 -12.025 -0.551 2.208 0.00 0.00 O+0 HETATM 30 C UNK 0 -10.446 0.195 0.509 0.00 0.00 C+0 HETATM 31 C UNK 0 -10.976 -0.302 -0.831 0.00 0.00 C+0 HETATM 32 O UNK 0 -9.043 0.410 0.370 0.00 0.00 O+0 HETATM 33 C UNK 0 -8.467 1.073 1.500 0.00 0.00 C+0 HETATM 34 O UNK 0 -8.570 2.494 1.329 0.00 0.00 O+0 HETATM 35 C UNK 0 -7.488 3.060 0.551 0.00 0.00 C+0 HETATM 36 C UNK 0 -7.499 2.666 -0.949 0.00 0.00 C+0 HETATM 37 O UNK 0 -6.271 3.083 -1.561 0.00 0.00 O+0 HETATM 38 C UNK 0 -6.036 2.451 -2.838 0.00 0.00 C+0 HETATM 39 C UNK 0 -5.861 3.598 -3.846 0.00 0.00 C+0 HETATM 40 C UNK 0 -4.616 3.515 -4.720 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.292 3.306 -3.930 0.00 0.00 C+0 HETATM 42 C UNK 0 -3.006 4.698 -3.261 0.00 0.00 C+0 HETATM 43 C UNK 0 -3.479 2.269 -2.761 0.00 0.00 C+0 HETATM 44 C UNK 0 -2.224 1.440 -2.458 0.00 0.00 C+0 HETATM 45 C UNK 0 -0.919 2.167 -2.744 0.00 0.00 C+0 HETATM 46 C UNK 0 -0.701 2.519 -4.237 0.00 0.00 C+0 HETATM 47 C UNK 0 0.229 3.781 -4.245 0.00 0.00 C+0 HETATM 48 C UNK 0 -2.065 3.000 -4.912 0.00 0.00 C+0 HETATM 49 C UNK 0 -2.426 2.206 -6.175 0.00 0.00 C+0 HETATM 50 C UNK 0 -1.243 1.924 -7.044 0.00 0.00 C+0 HETATM 51 C UNK 0 -0.069 1.480 -6.555 0.00 0.00 C+0 HETATM 52 C UNK 0 1.010 1.013 -7.537 0.00 0.00 C+0 HETATM 53 C UNK 0 0.553 -0.280 -8.263 0.00 0.00 C+0 HETATM 54 C UNK 0 1.417 -0.591 -9.513 0.00 0.00 C+0 HETATM 55 C UNK 0 1.358 -2.106 -9.788 0.00 0.00 C+0 HETATM 56 C UNK 0 0.852 0.138 -10.747 0.00 0.00 C+0 HETATM 57 C UNK 0 2.882 -0.148 -9.297 0.00 0.00 C+0 HETATM 58 C UNK 0 3.266 -0.202 -7.821 0.00 0.00 C+0 HETATM 59 C UNK 0 2.456 0.829 -6.969 0.00 0.00 C+0 HETATM 60 C UNK 0 3.201 2.181 -7.006 0.00 0.00 C+0 HETATM 61 O UNK 0 2.706 3.262 -7.293 0.00 0.00 O+0 HETATM 62 O UNK 0 4.502 2.023 -6.640 0.00 0.00 O+0 HETATM 63 C UNK 0 5.303 3.207 -6.671 0.00 0.00 C+0 HETATM 64 O UNK 0 6.642 2.851 -7.023 0.00 0.00 O+0 HETATM 65 C UNK 0 7.483 2.419 -5.947 0.00 0.00 C+0 HETATM 66 C UNK 0 8.379 1.284 -6.471 0.00 0.00 C+0 HETATM 67 O UNK 0 7.632 0.075 -6.627 0.00 0.00 O+0 HETATM 68 C UNK 0 6.733 1.997 -4.673 0.00 0.00 C+0 HETATM 69 O UNK 0 7.711 1.680 -3.663 0.00 0.00 O+0 HETATM 70 C UNK 0 7.473 0.455 -2.970 0.00 0.00 C+0 HETATM 71 O UNK 0 6.601 0.690 -1.858 0.00 0.00 O+0 HETATM 72 C UNK 0 7.258 1.143 -0.655 0.00 0.00 C+0 HETATM 73 C UNK 0 7.903 2.531 -0.825 0.00 0.00 C+0 HETATM 74 O UNK 0 7.926 3.226 0.421 0.00 0.00 O+0 HETATM 75 C UNK 0 8.273 0.096 -0.114 0.00 0.00 C+0 HETATM 76 O UNK 0 7.650 -0.600 0.995 0.00 0.00 O+0 HETATM 77 C UNK 0 8.564 -1.390 1.763 0.00 0.00 C+0 HETATM 78 O UNK 0 8.700 -2.686 1.153 0.00 0.00 O+0 HETATM 79 C UNK 0 7.482 -3.443 1.173 0.00 0.00 C+0 HETATM 80 C UNK 0 7.757 -4.766 0.464 0.00 0.00 C+0 HETATM 81 C UNK 0 6.973 -3.672 2.603 0.00 0.00 C+0 HETATM 82 O UNK 0 5.693 -4.328 2.610 0.00 0.00 O+0 HETATM 83 C UNK 0 6.848 -2.342 3.350 0.00 0.00 C+0 HETATM 84 O UNK 0 6.587 -2.605 4.740 0.00 0.00 O+0 HETATM 85 C UNK 0 8.114 -1.500 3.232 0.00 0.00 C+0 HETATM 86 O UNK 0 9.143 -2.108 4.033 0.00 0.00 O+0 HETATM 87 C UNK 0 8.678 -0.889 -1.231 0.00 0.00 C+0 HETATM 88 O UNK 0 9.940 -1.521 -0.954 0.00 0.00 O+0 HETATM 89 C UNK 0 8.827 -0.156 -2.559 0.00 0.00 C+0 HETATM 90 O UNK 0 9.299 -1.076 -3.560 0.00 0.00 O+0 HETATM 91 C UNK 0 5.860 3.163 -4.179 0.00 0.00 C+0 HETATM 92 O UNK 0 4.826 2.677 -3.296 0.00 0.00 O+0 HETATM 93 C UNK 0 5.218 3.963 -5.328 0.00 0.00 C+0 HETATM 94 O UNK 0 5.898 5.229 -5.425 0.00 0.00 O+0 HETATM 95 C UNK 0 2.429 0.327 -5.511 0.00 0.00 C+0 HETATM 96 C UNK 0 1.573 1.229 -4.627 0.00 0.00 C+0 HETATM 97 C UNK 0 0.069 1.302 -5.041 0.00 0.00 C+0 HETATM 98 C UNK 0 -0.538 -0.095 -4.738 0.00 0.00 C+0 HETATM 99 C UNK 0 -4.830 1.444 -2.751 0.00 0.00 C+0 HETATM 100 C UNK 0 -4.924 0.648 -1.416 0.00 0.00 C+0 HETATM 101 C UNK 0 -4.991 0.405 -3.901 0.00 0.00 C+0 HETATM 102 O UNK 0 -4.066 -0.672 -3.855 0.00 0.00 O+0 HETATM 103 O UNK 0 -8.636 3.195 -1.642 0.00 0.00 O+0 HETATM 104 C UNK 0 -8.740 4.615 -1.558 0.00 0.00 C+0 HETATM 105 C UNK 0 -8.837 5.090 -0.115 0.00 0.00 C+0 HETATM 106 O UNK 0 -8.885 6.518 -0.056 0.00 0.00 O+0 HETATM 107 C UNK 0 -7.630 4.582 0.679 0.00 0.00 C+0 HETATM 108 O UNK 0 -7.819 4.963 2.058 0.00 0.00 O+0 HETATM 109 C UNK 0 -9.165 0.694 2.832 0.00 0.00 C+0 HETATM 110 O UNK 0 -8.302 0.935 3.951 0.00 0.00 O+0 HETATM 111 C UNK 0 -8.365 -3.110 4.383 0.00 0.00 C+0 HETATM 112 O UNK 0 -8.970 -2.438 5.506 0.00 0.00 O+0 HETATM 113 C UNK 0 -7.319 -4.107 4.898 0.00 0.00 C+0 HETATM 114 O UNK 0 -6.402 -3.425 5.767 0.00 0.00 O+0 HETATM 115 C UNK 0 -4.291 -7.370 4.240 0.00 0.00 C+0 HETATM 116 O UNK 0 -4.690 -8.656 4.746 0.00 0.00 O+0 HETATM 117 C UNK 0 -2.770 -7.219 4.420 0.00 0.00 C+0 HETATM 118 O UNK 0 -2.144 -7.894 3.320 0.00 0.00 O+0 HETATM 119 O UNK 0 0.282 -6.709 3.025 0.00 0.00 O+0 HETATM 120 C UNK 0 1.668 -6.828 3.389 0.00 0.00 C+0 HETATM 121 C UNK 0 1.851 -6.867 4.918 0.00 0.00 C+0 HETATM 122 O UNK 0 1.163 -7.999 5.449 0.00 0.00 O+0 HETATM 123 C UNK 0 2.530 -5.739 2.706 0.00 0.00 C+0 HETATM 124 O UNK 0 3.164 -6.268 1.526 0.00 0.00 O+0 HETATM 125 C UNK 0 1.697 -4.530 2.246 0.00 0.00 C+0 HETATM 126 O UNK 0 2.566 -3.384 2.129 0.00 0.00 O+0 HETATM 127 C UNK 0 2.838 -3.011 0.777 0.00 0.00 C+0 HETATM 128 O UNK 0 4.047 -2.243 0.756 0.00 0.00 O+0 HETATM 129 C UNK 0 3.884 -0.837 1.015 0.00 0.00 C+0 HETATM 130 C UNK 0 3.388 -0.545 2.450 0.00 0.00 C+0 HETATM 131 O UNK 0 3.585 0.818 2.818 0.00 0.00 O+0 HETATM 132 C UNK 0 4.933 1.120 3.193 0.00 0.00 C+0 HETATM 133 O UNK 0 5.216 0.547 4.471 0.00 0.00 O+0 HETATM 134 C UNK 0 5.279 1.505 5.525 0.00 0.00 C+0 HETATM 135 C UNK 0 5.463 0.742 6.834 0.00 0.00 C+0 HETATM 136 C UNK 0 6.444 2.487 5.284 0.00 0.00 C+0 HETATM 137 O UNK 0 6.328 3.593 6.185 0.00 0.00 O+0 HETATM 138 C UNK 0 6.468 2.996 3.828 0.00 0.00 C+0 HETATM 139 O UNK 0 7.598 2.413 3.150 0.00 0.00 O+0 HETATM 140 C UNK 0 5.166 2.646 3.099 0.00 0.00 C+0 HETATM 141 O UNK 0 5.302 3.027 1.718 0.00 0.00 O+0 HETATM 142 C UNK 0 4.269 3.908 1.258 0.00 0.00 C+0 HETATM 143 O UNK 0 2.985 3.332 1.453 0.00 0.00 O+0 HETATM 144 C UNK 0 1.921 4.179 0.988 0.00 0.00 C+0 HETATM 145 C UNK 0 0.585 3.576 1.429 0.00 0.00 C+0 HETATM 146 O UNK 0 0.449 3.722 2.847 0.00 0.00 O+0 HETATM 147 C UNK 0 2.014 4.311 -0.536 0.00 0.00 C+0 HETATM 148 O UNK 0 0.995 5.174 -1.045 0.00 0.00 O+0 HETATM 149 C UNK 0 3.379 4.903 -0.892 0.00 0.00 C+0 HETATM 150 O UNK 0 3.545 4.938 -2.320 0.00 0.00 O+0 HETATM 151 C UNK 0 4.528 4.134 -0.243 0.00 0.00 C+0 HETATM 152 O UNK 0 5.763 4.846 -0.459 0.00 0.00 O+0 HETATM 153 C UNK 0 3.010 -0.155 -0.064 0.00 0.00 C+0 HETATM 154 O UNK 0 3.838 0.508 -1.043 0.00 0.00 O+0 HETATM 155 C UNK 0 2.121 -1.169 -0.800 0.00 0.00 C+0 HETATM 156 O UNK 0 0.974 -0.502 -1.342 0.00 0.00 O+0 HETATM 157 C UNK 0 1.641 -2.271 0.135 0.00 0.00 C+0 HETATM 158 O UNK 0 0.778 -3.162 -0.601 0.00 0.00 O+0 HETATM 159 C UNK 0 -2.346 1.551 2.272 0.00 0.00 C+0 HETATM 160 C UNK 0 -3.070 2.692 1.941 0.00 0.00 C+0 HETATM 161 O UNK 0 -3.048 3.106 0.638 0.00 0.00 O+0 HETATM 162 H UNK 0 -5.390 6.277 2.864 0.00 0.00 H+0 HETATM 163 H UNK 0 -5.785 4.930 3.942 0.00 0.00 H+0 HETATM 164 H UNK 0 -4.201 5.785 4.076 0.00 0.00 H+0 HETATM 165 H UNK 0 -4.271 3.522 5.009 0.00 0.00 H+0 HETATM 166 H UNK 0 -2.986 1.546 5.613 0.00 0.00 H+0 HETATM 167 H UNK 0 -1.138 0.026 5.078 0.00 0.00 H+0 HETATM 168 H UNK 0 -1.455 -1.164 2.244 0.00 0.00 H+0 HETATM 169 H UNK 0 1.087 -4.090 4.255 0.00 0.00 H+0 HETATM 170 H UNK 0 -1.085 -5.311 2.519 0.00 0.00 H+0 HETATM 171 H UNK 0 -2.796 -5.204 3.628 0.00 0.00 H+0 HETATM 172 H UNK 0 -2.465 -5.434 6.658 0.00 0.00 H+0 HETATM 173 H UNK 0 -3.647 -3.279 4.835 0.00 0.00 H+0 HETATM 174 H UNK 0 -2.153 -3.204 5.782 0.00 0.00 H+0 HETATM 175 H UNK 0 -4.797 -3.506 6.712 0.00 0.00 H+0 HETATM 176 H UNK 0 -6.037 -6.606 5.278 0.00 0.00 H+0 HETATM 177 H UNK 0 -7.161 -5.743 3.464 0.00 0.00 H+0 HETATM 178 H UNK 0 -5.794 -4.199 1.795 0.00 0.00 H+0 HETATM 179 H UNK 0 -7.558 -4.121 1.870 0.00 0.00 H+0 HETATM 180 H UNK 0 -7.394 -1.194 3.977 0.00 0.00 H+0 HETATM 181 H UNK 0 -10.110 -1.057 3.713 0.00 0.00 H+0 HETATM 182 H UNK 0 -10.769 -1.844 1.240 0.00 0.00 H+0 HETATM 183 H UNK 0 -12.691 -0.702 1.513 0.00 0.00 H+0 HETATM 184 H UNK 0 -10.938 1.155 0.717 0.00 0.00 H+0 HETATM 185 H UNK 0 -10.481 -1.233 -1.128 0.00 0.00 H+0 HETATM 186 H UNK 0 -12.056 -0.473 -0.796 0.00 0.00 H+0 HETATM 187 H UNK 0 -10.764 0.430 -1.618 0.00 0.00 H+0 HETATM 188 H UNK 0 -7.410 0.787 1.556 0.00 0.00 H+0 HETATM 189 H UNK 0 -6.542 2.767 1.024 0.00 0.00 H+0 HETATM 190 H UNK 0 -7.568 1.581 -1.031 0.00 0.00 H+0 HETATM 191 H UNK 0 -6.936 1.893 -3.133 0.00 0.00 H+0 HETATM 192 H UNK 0 -5.880 4.568 -3.335 0.00 0.00 H+0 HETATM 193 H UNK 0 -6.738 3.615 -4.506 0.00 0.00 H+0 HETATM 194 H UNK 0 -4.788 2.725 -5.450 0.00 0.00 H+0 HETATM 195 H UNK 0 -4.548 4.432 -5.322 0.00 0.00 H+0 HETATM 196 H UNK 0 -3.831 5.016 -2.614 0.00 0.00 H+0 HETATM 197 H UNK 0 -2.869 5.481 -4.015 0.00 0.00 H+0 HETATM 198 H UNK 0 -2.115 4.690 -2.630 0.00 0.00 H+0 HETATM 199 H UNK 0 -3.580 2.891 -1.859 0.00 0.00 H+0 HETATM 200 H UNK 0 -2.252 0.494 -2.985 0.00 0.00 H+0 HETATM 201 H UNK 0 -2.220 1.173 -1.393 0.00 0.00 H+0 HETATM 202 H UNK 0 -0.889 3.067 -2.119 0.00 0.00 H+0 HETATM 203 H UNK 0 -0.084 1.566 -2.373 0.00 0.00 H+0 HETATM 204 H UNK 0 1.090 3.658 -3.581 0.00 0.00 H+0 HETATM 205 H UNK 0 0.592 4.005 -5.254 0.00 0.00 H+0 HETATM 206 H UNK 0 -0.288 4.676 -3.887 0.00 0.00 H+0 HETATM 207 H UNK 0 -1.841 3.987 -5.351 0.00 0.00 H+0 HETATM 208 H UNK 0 -2.936 1.269 -5.939 0.00 0.00 H+0 HETATM 209 H UNK 0 -3.119 2.796 -6.788 0.00 0.00 H+0 HETATM 210 H UNK 0 -1.396 2.007 -8.118 0.00 0.00 H+0 HETATM 211 H UNK 0 1.054 1.793 -8.311 0.00 0.00 H+0 HETATM 212 H UNK 0 -0.501 -0.223 -8.563 0.00 0.00 H+0 HETATM 213 H UNK 0 0.607 -1.117 -7.555 0.00 0.00 H+0 HETATM 214 H UNK 0 1.918 -2.368 -10.693 0.00 0.00 H+0 HETATM 215 H UNK 0 1.783 -2.680 -8.958 0.00 0.00 H+0 HETATM 216 H UNK 0 0.324 -2.441 -9.930 0.00 0.00 H+0 HETATM 217 H UNK 0 -0.175 -0.180 -10.960 0.00 0.00 H+0 HETATM 218 H UNK 0 0.838 1.223 -10.602 0.00 0.00 H+0 HETATM 219 H UNK 0 1.455 -0.071 -11.638 0.00 0.00 H+0 HETATM 220 H UNK 0 3.563 -0.782 -9.878 0.00 0.00 H+0 HETATM 221 H UNK 0 3.037 0.875 -9.662 0.00 0.00 H+0 HETATM 222 H UNK 0 3.093 -1.221 -7.451 0.00 0.00 H+0 HETATM 223 H UNK 0 4.347 -0.045 -7.735 0.00 0.00 H+0 HETATM 224 H UNK 0 4.977 3.867 -7.484 0.00 0.00 H+0 HETATM 225 H UNK 0 8.146 3.263 -5.714 0.00 0.00 H+0 HETATM 226 H UNK 0 8.796 1.544 -7.449 0.00 0.00 H+0 HETATM 227 H UNK 0 9.201 1.087 -5.775 0.00 0.00 H+0 HETATM 228 H UNK 0 8.274 -0.615 -6.870 0.00 0.00 H+0 HETATM 229 H UNK 0 6.089 1.133 -4.876 0.00 0.00 H+0 HETATM 230 H UNK 0 6.965 -0.256 -3.632 0.00 0.00 H+0 HETATM 231 H UNK 0 6.454 1.249 0.081 0.00 0.00 H+0 HETATM 232 H UNK 0 7.351 3.136 -1.547 0.00 0.00 H+0 HETATM 233 H UNK 0 8.932 2.460 -1.188 0.00 0.00 H+0 HETATM 234 H UNK 0 7.188 3.878 0.362 0.00 0.00 H+0 HETATM 235 H UNK 0 9.152 0.614 0.291 0.00 0.00 H+0 HETATM 236 H UNK 0 9.561 -0.934 1.759 0.00 0.00 H+0 HETATM 237 H UNK 0 6.723 -2.916 0.583 0.00 0.00 H+0 HETATM 238 H UNK 0 8.535 -5.335 0.986 0.00 0.00 H+0 HETATM 239 H UNK 0 6.856 -5.382 0.396 0.00 0.00 H+0 HETATM 240 H UNK 0 8.130 -4.583 -0.550 0.00 0.00 H+0 HETATM 241 H UNK 0 7.662 -4.327 3.150 0.00 0.00 H+0 HETATM 242 H UNK 0 5.066 -3.756 2.121 0.00 0.00 H+0 HETATM 243 H UNK 0 5.995 -1.782 2.962 0.00 0.00 H+0 HETATM 244 H UNK 0 5.815 -3.202 4.757 0.00 0.00 H+0 HETATM 245 H UNK 0 7.934 -0.504 3.652 0.00 0.00 H+0 HETATM 246 H UNK 0 8.699 -2.313 4.882 0.00 0.00 H+0 HETATM 247 H UNK 0 7.945 -1.698 -1.334 0.00 0.00 H+0 HETATM 248 H UNK 0 9.767 -2.181 -0.247 0.00 0.00 H+0 HETATM 249 H UNK 0 9.603 0.615 -2.487 0.00 0.00 H+0 HETATM 250 H UNK 0 10.030 -1.559 -3.120 0.00 0.00 H+0 HETATM 251 H UNK 0 6.468 3.837 -3.563 0.00 0.00 H+0 HETATM 252 H UNK 0 5.235 1.999 -2.715 0.00 0.00 H+0 HETATM 253 H UNK 0 4.171 4.180 -5.086 0.00 0.00 H+0 HETATM 254 H UNK 0 5.394 5.775 -6.056 0.00 0.00 H+0 HETATM 255 H UNK 0 3.444 0.299 -5.096 0.00 0.00 H+0 HETATM 256 H UNK 0 2.065 -0.705 -5.463 0.00 0.00 H+0 HETATM 257 H UNK 0 2.048 2.211 -4.649 0.00 0.00 H+0 HETATM 258 H UNK 0 1.662 0.881 -3.592 0.00 0.00 H+0 HETATM 259 H UNK 0 -0.104 -0.883 -5.362 0.00 0.00 H+0 HETATM 260 H UNK 0 -0.359 -0.399 -3.703 0.00 0.00 H+0 HETATM 261 H UNK 0 -1.613 -0.135 -4.926 0.00 0.00 H+0 HETATM 262 H UNK 0 -4.125 -0.094 -1.315 0.00 0.00 H+0 HETATM 263 H UNK 0 -4.853 1.304 -0.543 0.00 0.00 H+0 HETATM 264 H UNK 0 -5.871 0.101 -1.352 0.00 0.00 H+0 HETATM 265 H UNK 0 -4.900 0.847 -4.888 0.00 0.00 H+0 HETATM 266 H UNK 0 -5.992 -0.042 -3.866 0.00 0.00 H+0 HETATM 267 H UNK 0 -4.314 -1.248 -3.113 0.00 0.00 H+0 HETATM 268 H UNK 0 -7.898 5.088 -2.076 0.00 0.00 H+0 HETATM 269 H UNK 0 -9.638 4.920 -2.107 0.00 0.00 H+0 HETATM 270 H UNK 0 -9.763 4.719 0.341 0.00 0.00 H+0 HETATM 271 H UNK 0 -8.694 6.742 0.877 0.00 0.00 H+0 HETATM 272 H UNK 0 -6.720 5.088 0.336 0.00 0.00 H+0 HETATM 273 H UNK 0 -8.323 4.224 2.457 0.00 0.00 H+0 HETATM 274 H UNK 0 -10.023 1.360 2.991 0.00 0.00 H+0 HETATM 275 H UNK 0 -8.793 0.694 4.757 0.00 0.00 H+0 HETATM 276 H UNK 0 -9.168 -3.646 3.861 0.00 0.00 H+0 HETATM 277 H UNK 0 -9.467 -3.106 6.014 0.00 0.00 H+0 HETATM 278 H UNK 0 -7.806 -4.855 5.534 0.00 0.00 H+0 HETATM 279 H UNK 0 -6.911 -2.728 6.228 0.00 0.00 H+0 HETATM 280 H UNK 0 -4.545 -7.387 3.172 0.00 0.00 H+0 HETATM 281 H UNK 0 -4.085 -9.299 4.326 0.00 0.00 H+0 HETATM 282 H UNK 0 -2.429 -7.744 5.321 0.00 0.00 H+0 HETATM 283 H UNK 0 -1.174 -7.801 3.445 0.00 0.00 H+0 HETATM 284 H UNK 0 1.971 -7.811 3.007 0.00 0.00 H+0 HETATM 285 H UNK 0 2.910 -6.967 5.176 0.00 0.00 H+0 HETATM 286 H UNK 0 1.454 -5.976 5.410 0.00 0.00 H+0 HETATM 287 H UNK 0 1.164 -7.907 6.418 0.00 0.00 H+0 HETATM 288 H UNK 0 3.343 -5.419 3.366 0.00 0.00 H+0 HETATM 289 H UNK 0 3.909 -6.822 1.824 0.00 0.00 H+0 HETATM 290 H UNK 0 1.227 -4.741 1.278 0.00 0.00 H+0 HETATM 291 H UNK 0 3.068 -3.918 0.207 0.00 0.00 H+0 HETATM 292 H UNK 0 4.892 -0.431 0.915 0.00 0.00 H+0 HETATM 293 H UNK 0 3.852 -1.213 3.182 0.00 0.00 H+0 HETATM 294 H UNK 0 2.311 -0.731 2.517 0.00 0.00 H+0 HETATM 295 H UNK 0 5.616 0.642 2.487 0.00 0.00 H+0 HETATM 296 H UNK 0 4.323 2.039 5.594 0.00 0.00 H+0 HETATM 297 H UNK 0 6.380 0.143 6.813 0.00 0.00 H+0 HETATM 298 H UNK 0 4.635 0.040 6.982 0.00 0.00 H+0 HETATM 299 H UNK 0 5.503 1.419 7.692 0.00 0.00 H+0 HETATM 300 H UNK 0 7.394 1.984 5.508 0.00 0.00 H+0 HETATM 301 H UNK 0 7.171 4.080 6.140 0.00 0.00 H+0 HETATM 302 H UNK 0 6.629 4.080 3.794 0.00 0.00 H+0 HETATM 303 H UNK 0 7.585 2.752 2.227 0.00 0.00 H+0 HETATM 304 H UNK 0 4.335 3.188 3.569 0.00 0.00 H+0 HETATM 305 H UNK 0 4.358 4.851 1.814 0.00 0.00 H+0 HETATM 306 H UNK 0 2.019 5.162 1.468 0.00 0.00 H+0 HETATM 307 H UNK 0 0.542 2.508 1.195 0.00 0.00 H+0 HETATM 308 H UNK 0 -0.261 4.090 0.962 0.00 0.00 H+0 HETATM 309 H UNK 0 -0.390 3.293 3.087 0.00 0.00 H+0 HETATM 310 H UNK 0 1.896 3.333 -1.021 0.00 0.00 H+0 HETATM 311 H UNK 0 1.259 5.390 -1.961 0.00 0.00 H+0 HETATM 312 H UNK 0 3.417 5.955 -0.581 0.00 0.00 H+0 HETATM 313 H UNK 0 3.728 4.021 -2.630 0.00 0.00 H+0 HETATM 314 H UNK 0 4.651 3.163 -0.735 0.00 0.00 H+0 HETATM 315 H UNK 0 5.697 5.213 -1.366 0.00 0.00 H+0 HETATM 316 H UNK 0 2.402 0.644 0.374 0.00 0.00 H+0 HETATM 317 H UNK 0 4.577 -0.081 -1.280 0.00 0.00 H+0 HETATM 318 H UNK 0 2.649 -1.599 -1.659 0.00 0.00 H+0 HETATM 319 H UNK 0 0.312 -1.191 -1.542 0.00 0.00 H+0 HETATM 320 H UNK 0 1.000 -1.833 0.906 0.00 0.00 H+0 HETATM 321 H UNK 0 1.310 -3.619 -1.278 0.00 0.00 H+0 HETATM 322 H UNK 0 -1.801 1.038 1.486 0.00 0.00 H+0 HETATM 323 H UNK 0 -3.591 3.919 0.613 0.00 0.00 H+0 CONECT 1 2 162 163 164 CONECT 2 3 1 CONECT 3 4 160 2 CONECT 4 3 5 165 CONECT 5 6 4 166 CONECT 6 159 5 7 CONECT 7 6 8 167 CONECT 8 9 7 168 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 CONECT 12 13 125 11 169 CONECT 13 12 119 14 170 CONECT 14 15 13 CONECT 15 117 16 14 171 CONECT 16 15 19 17 172 CONECT 17 18 16 173 174 CONECT 18 17 175 CONECT 19 16 20 CONECT 20 115 19 21 176 CONECT 21 22 20 CONECT 22 113 23 21 177 CONECT 23 22 24 178 179 CONECT 24 23 25 CONECT 25 111 24 26 180 CONECT 26 27 25 CONECT 27 28 109 26 181 CONECT 28 27 30 29 182 CONECT 29 28 183 CONECT 30 32 28 31 184 CONECT 31 30 185 186 187 CONECT 32 33 30 CONECT 33 109 32 34 188 CONECT 34 33 35 CONECT 35 36 107 34 189 CONECT 36 35 103 37 190 CONECT 37 38 36 CONECT 38 39 99 37 191 CONECT 39 38 40 192 193 CONECT 40 39 41 194 195 CONECT 41 40 43 48 42 CONECT 42 41 196 197 198 CONECT 43 99 41 44 199 CONECT 44 43 45 200 201 CONECT 45 44 46 202 203 CONECT 46 45 48 97 47 CONECT 47 46 204 205 206 CONECT 48 41 46 49 207 CONECT 49 48 50 208 209 CONECT 50 51 49 210 CONECT 51 50 97 52 CONECT 52 51 59 53 211 CONECT 53 52 54 212 213 CONECT 54 57 53 55 56 CONECT 55 54 214 215 216 CONECT 56 54 217 218 219 CONECT 57 58 54 220 221 CONECT 58 59 57 222 223 CONECT 59 95 52 58 60 CONECT 60 59 62 61 CONECT 61 60 CONECT 62 60 63 CONECT 63 93 64 62 224 CONECT 64 65 63 CONECT 65 68 64 66 225 CONECT 66 67 65 226 227 CONECT 67 66 228 CONECT 68 91 65 69 229 CONECT 69 68 70 CONECT 70 89 71 69 230 CONECT 71 72 70 CONECT 72 75 71 73 231 CONECT 73 74 72 232 233 CONECT 74 73 234 CONECT 75 87 72 76 235 CONECT 76 77 75 CONECT 77 85 78 76 236 CONECT 78 77 79 CONECT 79 78 81 80 237 CONECT 80 79 238 239 240 CONECT 81 83 79 82 241 CONECT 82 81 242 CONECT 83 81 85 84 243 CONECT 84 83 244 CONECT 85 83 77 86 245 CONECT 86 85 246 CONECT 87 89 75 88 247 CONECT 88 87 248 CONECT 89 70 87 90 249 CONECT 90 89 250 CONECT 91 93 68 92 251 CONECT 92 91 252 CONECT 93 63 91 94 253 CONECT 94 93 254 CONECT 95 96 59 255 256 CONECT 96 97 95 257 258 CONECT 97 46 51 96 98 CONECT 98 97 259 260 261 CONECT 99 38 43 100 101 CONECT 100 99 262 263 264 CONECT 101 99 102 265 266 CONECT 102 101 267 CONECT 103 104 36 CONECT 104 105 103 268 269 CONECT 105 107 104 106 270 CONECT 106 105 271 CONECT 107 35 105 108 272 CONECT 108 107 273 CONECT 109 27 33 110 274 CONECT 110 109 275 CONECT 111 25 113 112 276 CONECT 112 111 277 CONECT 113 114 111 22 278 CONECT 114 113 279 CONECT 115 20 117 116 280 CONECT 116 115 281 CONECT 117 115 15 118 282 CONECT 118 117 283 CONECT 119 120 13 CONECT 120 123 119 121 284 CONECT 121 122 120 285 286 CONECT 122 121 287 CONECT 123 125 120 124 288 CONECT 124 123 289 CONECT 125 12 123 126 290 CONECT 126 125 127 CONECT 127 157 128 126 291 CONECT 128 129 127 CONECT 129 153 128 130 292 CONECT 130 131 129 293 294 CONECT 131 130 132 CONECT 132 140 133 131 295 CONECT 133 132 134 CONECT 134 133 136 135 296 CONECT 135 134 297 298 299 CONECT 136 138 134 137 300 CONECT 137 136 301 CONECT 138 136 140 139 302 CONECT 139 138 303 CONECT 140 138 132 141 304 CONECT 141 142 140 CONECT 142 151 143 141 305 CONECT 143 144 142 CONECT 144 147 143 145 306 CONECT 145 146 144 307 308 CONECT 146 145 309 CONECT 147 149 144 148 310 CONECT 148 147 311 CONECT 149 151 147 150 312 CONECT 150 149 313 CONECT 151 142 149 152 314 CONECT 152 151 315 CONECT 153 155 129 154 316 CONECT 154 153 317 CONECT 155 157 153 156 318 CONECT 156 155 319 CONECT 157 158 127 155 320 CONECT 158 157 321 CONECT 159 160 6 322 CONECT 160 3 159 161 CONECT 161 160 323 CONECT 162 1 CONECT 163 1 CONECT 164 1 CONECT 165 4 CONECT 166 5 CONECT 167 7 CONECT 168 8 CONECT 169 12 CONECT 170 13 CONECT 171 15 CONECT 172 16 CONECT 173 17 CONECT 174 17 CONECT 175 18 CONECT 176 20 CONECT 177 22 CONECT 178 23 CONECT 179 23 CONECT 180 25 CONECT 181 27 CONECT 182 28 CONECT 183 29 CONECT 184 30 CONECT 185 31 CONECT 186 31 CONECT 187 31 CONECT 188 33 CONECT 189 35 CONECT 190 36 CONECT 191 38 CONECT 192 39 CONECT 193 39 CONECT 194 40 CONECT 195 40 CONECT 196 42 CONECT 197 42 CONECT 198 42 CONECT 199 43 CONECT 200 44 CONECT 201 44 CONECT 202 45 CONECT 203 45 CONECT 204 47 CONECT 205 47 CONECT 206 47 CONECT 207 48 CONECT 208 49 CONECT 209 49 CONECT 210 50 CONECT 211 52 CONECT 212 53 CONECT 213 53 CONECT 214 55 CONECT 215 55 CONECT 216 55 CONECT 217 56 CONECT 218 56 CONECT 219 56 CONECT 220 57 CONECT 221 57 CONECT 222 58 CONECT 223 58 CONECT 224 63 CONECT 225 65 CONECT 226 66 CONECT 227 66 CONECT 228 67 CONECT 229 68 CONECT 230 70 CONECT 231 72 CONECT 232 73 CONECT 233 73 CONECT 234 74 CONECT 235 75 CONECT 236 77 CONECT 237 79 CONECT 238 80 CONECT 239 80 CONECT 240 80 CONECT 241 81 CONECT 242 82 CONECT 243 83 CONECT 244 84 CONECT 245 85 CONECT 246 86 CONECT 247 87 CONECT 248 88 CONECT 249 89 CONECT 250 90 CONECT 251 91 CONECT 252 92 CONECT 253 93 CONECT 254 94 CONECT 255 95 CONECT 256 95 CONECT 257 96 CONECT 258 96 CONECT 259 98 CONECT 260 98 CONECT 261 98 CONECT 262 100 CONECT 263 100 CONECT 264 100 CONECT 265 101 CONECT 266 101 CONECT 267 102 CONECT 268 104 CONECT 269 104 CONECT 270 105 CONECT 271 106 CONECT 272 107 CONECT 273 108 CONECT 274 109 CONECT 275 110 CONECT 276 111 CONECT 277 112 CONECT 278 113 CONECT 279 114 CONECT 280 115 CONECT 281 116 CONECT 282 117 CONECT 283 118 CONECT 284 120 CONECT 285 121 CONECT 286 121 CONECT 287 122 CONECT 288 123 CONECT 289 124 CONECT 290 125 CONECT 291 127 CONECT 292 129 CONECT 293 130 CONECT 294 130 CONECT 295 132 CONECT 296 134 CONECT 297 135 CONECT 298 135 CONECT 299 135 CONECT 300 136 CONECT 301 137 CONECT 302 138 CONECT 303 139 CONECT 304 140 CONECT 305 142 CONECT 306 144 CONECT 307 145 CONECT 308 145 CONECT 309 146 CONECT 310 147 CONECT 311 148 CONECT 312 149 CONECT 313 150 CONECT 314 151 CONECT 315 152 CONECT 316 153 CONECT 317 154 CONECT 318 155 CONECT 319 156 CONECT 320 157 CONECT 321 158 CONECT 322 159 CONECT 323 161 MASTER 0 0 0 0 0 0 0 0 323 0 678 0 END SMILES for NP0035411 (clematochinenoside A)[H]OC1=C([H])C(\C([H])=C(/[H])C(=O)O[C@@]2([H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@]4([H])C([H])([H])O[C@@]([H])(O[C@@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[C@@]7([H])C([H])([H])C([H])([H])[C@@]8(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@]9(C([H])([H])[H])[C@@]8([H])C([H])([H])C([H])=C8[C@]%10([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]%10(C(=O)O[C@]%10([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]%11([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]%12([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]%12([H])O[H])[C@]([H])(O[H])[C@@]%11([H])O[H])[C@]([H])(O[H])[C@@]%10([H])O[H])C([H])([H])C([H])([H])[C@@]98C([H])([H])[H])[C@]7(C([H])([H])[H])C([H])([H])O[H])OC([H])([H])[C@]([H])(O[H])[C@@]6([H])O[H])O[C@@]([H])(C([H])([H])[H])[C@]5([H])O[H])[C@]([H])(O[H])[C@]4([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C([H])=C1OC([H])([H])[H] INCHI for NP0035411 (clematochinenoside A)InChI=1S/C104H162O57/c1-36-56(114)64(122)72(130)88(142-36)154-79-47(29-107)148-92(76(134)69(79)127)155-80-48(30-108)149-93(77(135)70(80)128)161-98(137)104-23-21-99(4,5)26-41(104)40-13-15-53-100(6)19-18-54(101(7,35-110)52(100)17-20-103(53,9)102(40,8)22-24-104)152-96-84(59(117)43(112)32-139-96)159-94-78(136)82(58(116)38(3)143-94)157-87-71(129)62(120)51(33-140-87)150-89-75(133)68(126)81(49(31-109)147-89)156-97-86(153-55(113)16-12-39-11-14-44(138-10)42(111)25-39)83(63(121)46(28-106)146-97)158-91-74(132)66(124)61(119)50(151-91)34-141-95-85(67(125)57(115)37(2)144-95)160-90-73(131)65(123)60(118)45(27-105)145-90/h11-14,16,25,36-38,41,43,45-54,56-97,105-112,114-136H,15,17-24,26-35H2,1-10H3/b16-12+/t36-,37-,38-,41-,43-,45+,46+,47+,48+,49+,50+,51+,52-,53-,54-,56-,57-,58-,59+,60+,61+,62+,63+,64+,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84+,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,100-,101-,102+,103+,104-/m0/s1 3D Structure for NP0035411 (clematochinenoside A) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C104H162O57 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 2324.3830 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 2322.97779 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aS,9R,10S,12aR,12bS,14bS)-10-{[(2S,3R,4R,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4S,5R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-3-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aS,9R,10S,12aR,12bS,14bS)-10-{[(2S,3R,4R,5S)-3-{[(2S,3R,4R,5S,6S)-4-{[(2S,3R,4S,5R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-3-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [H]OC1=C([H])C(\C([H])=C(/[H])C(=O)O[C@@]2([H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@]4([H])C([H])([H])O[C@@]([H])(O[C@@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[C@@]7([H])C([H])([H])C([H])([H])[C@@]8(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@]9(C([H])([H])[H])[C@@]8([H])C([H])([H])C([H])=C8[C@]%10([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]%10(C(=O)O[C@]%10([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]%11([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]%12([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]%12([H])O[H])[C@]([H])(O[H])[C@@]%11([H])O[H])[C@]([H])(O[H])[C@@]%10([H])O[H])C([H])([H])C([H])([H])[C@@]98C([H])([H])[H])[C@]7(C([H])([H])[H])C([H])([H])O[H])OC([H])([H])[C@]([H])(O[H])[C@@]6([H])O[H])O[C@@]([H])(C([H])([H])[H])[C@]5([H])O[H])[C@]([H])(O[H])[C@]4([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C([H])C([H])=C1OC([H])([H])[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C104H162O57/c1-36-56(114)64(122)72(130)88(142-36)154-79-47(29-107)148-92(76(134)69(79)127)155-80-48(30-108)149-93(77(135)70(80)128)161-98(137)104-23-21-99(4,5)26-41(104)40-13-15-53-100(6)19-18-54(101(7,35-110)52(100)17-20-103(53,9)102(40,8)22-24-104)152-96-84(59(117)43(112)32-139-96)159-94-78(136)82(58(116)38(3)143-94)157-87-71(129)62(120)51(33-140-87)150-89-75(133)68(126)81(49(31-109)147-89)156-97-86(153-55(113)16-12-39-11-14-44(138-10)42(111)25-39)83(63(121)46(28-106)146-97)158-91-74(132)66(124)61(119)50(151-91)34-141-95-85(67(125)57(115)37(2)144-95)160-90-73(131)65(123)60(118)45(27-105)145-90/h11-14,16,25,36-38,41,43,45-54,56-97,105-112,114-136H,15,17-24,26-35H2,1-10H3/b16-12+/t36-,37-,38-,41-,43-,45+,46+,47+,48+,49+,50+,51+,52-,53-,54-,56-,57-,58-,59+,60+,61+,62+,63+,64+,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83-,84+,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,100-,101-,102+,103+,104-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | ZJEIOKJOHLOFEP-MTRCQXIQSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
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| General References |
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