Showing NP-Card for (22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid (NP0015062)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 00:11:09 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:18:56 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0015062 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | (22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | (22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid is found in Ganoderma sp. BCC 16642. It was first documented in 2016 (PMID: 26716912). Based on a literature review very few articles have been published on CHEMBL3785485. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0015062 ((22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid)Mrv1652307042107093D 96 99 0 0 0 0 999 V2000 1.4467 -1.8205 -3.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -1.9076 -2.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 -0.8427 -1.7823 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1913 -1.3617 -1.0959 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5884 -0.5462 0.0779 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0873 -0.6249 0.2946 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8966 -0.2021 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3775 -2.1206 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5232 0.0788 1.5341 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8980 0.4237 1.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -0.0584 2.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3004 0.3659 1.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5760 -0.8505 3.1094 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7814 1.3249 1.8709 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3215 1.3086 1.5865 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0593 0.8332 0.1446 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6658 1.8530 -0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 0.8076 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 -0.1841 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3716 -0.4449 -0.5409 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5926 -0.8745 0.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0914 -1.4130 -1.4096 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5606 -1.0427 -1.1197 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5233 0.3351 -0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7034 1.1013 -0.8760 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7656 2.5119 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9719 0.3850 -0.4435 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0499 0.1773 1.0472 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2895 -0.5103 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1334 0.1083 2.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7682 1.4650 2.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3727 -0.4907 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1299 0.1201 3.4761 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7092 -1.7486 2.2624 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0523 -0.8823 -1.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0592 -1.2392 -1.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -2.6005 -2.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9262 -0.3647 -2.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1654 0.8295 -0.8759 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9956 1.0550 -2.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 1.9585 -0.1132 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7291 1.8421 0.4716 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0084 -0.9195 -4.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9088 -2.7137 -4.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5116 -1.9682 -4.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3229 -0.1758 -2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9906 -1.4855 -1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 -2.4209 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -1.0745 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 0.6116 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5764 -1.0182 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3268 0.1318 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 -2.2631 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 -2.5680 -0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 -2.5693 1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4973 -0.6297 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3894 0.6686 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5490 1.2629 2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0296 -0.4552 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3073 2.2300 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8882 1.4720 2.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 0.5704 2.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9216 2.3223 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 2.8288 -0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7341 2.0844 -0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 1.7225 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7738 -0.0786 1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 -1.6196 0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3429 -1.4279 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -2.4728 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -1.2385 -2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 -1.0029 -2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9777 -1.8211 -0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 0.2220 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7632 1.1999 -1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 2.9090 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 3.1990 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 2.5796 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8471 0.9610 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8696 1.0712 1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2194 -0.5441 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5828 -1.4947 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6019 2.1251 1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9532 1.4625 3.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6495 1.9303 3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7961 -2.5607 2.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8118 -3.2677 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2055 -2.5050 -3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0719 -3.0663 -2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0284 0.6359 -2.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 0.5843 -2.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 2.1593 -2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6744 2.8696 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3337 2.2096 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 2.8240 0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 1.7601 1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 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 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 27 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 24 39 1 0 0 0 0 39 40 1 6 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 19 3 1 0 0 0 0 39 20 1 0 0 0 0 16 5 1 0 0 0 0 42 18 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 3 46 1 6 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 49 1 1 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 8 55 1 0 0 0 0 9 56 1 1 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 14 60 1 0 0 0 0 14 61 1 0 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 17 66 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 74 1 1 0 0 0 25 75 1 6 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 79 1 6 0 0 0 28 80 1 0 0 0 0 28 81 1 0 0 0 0 29 82 1 0 0 0 0 31 83 1 0 0 0 0 31 84 1 0 0 0 0 31 85 1 0 0 0 0 34 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 M END 3D MOL for NP0015062 ((22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid)RDKit 3D 96 99 0 0 0 0 0 0 0 0999 V2000 1.4467 -1.8205 -3.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -1.9076 -2.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 -0.8427 -1.7823 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1913 -1.3617 -1.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5884 -0.5462 0.0779 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0873 -0.6249 0.2946 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8966 -0.2021 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3775 -2.1206 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5232 0.0788 1.5341 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8980 0.4237 1.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -0.0584 2.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3004 0.3659 1.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5760 -0.8505 3.1094 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7814 1.3249 1.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3215 1.3086 1.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0593 0.8332 0.1446 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6658 1.8530 -0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 0.8076 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 -0.1841 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3716 -0.4449 -0.5409 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5926 -0.8745 0.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0914 -1.4130 -1.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 -1.0427 -1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 0.3351 -0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7034 1.1013 -0.8760 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7656 2.5119 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9719 0.3850 -0.4435 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0499 0.1773 1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2895 -0.5103 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1334 0.1083 2.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7682 1.4650 2.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3727 -0.4907 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1299 0.1201 3.4761 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7092 -1.7486 2.2624 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0523 -0.8823 -1.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0592 -1.2392 -1.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -2.6005 -2.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9262 -0.3647 -2.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1654 0.8295 -0.8759 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9956 1.0550 -2.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 1.9585 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 1.8421 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0084 -0.9195 -4.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9088 -2.7137 -4.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5116 -1.9682 -4.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3229 -0.1758 -2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9906 -1.4855 -1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 -2.4209 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -1.0745 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 0.6116 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5764 -1.0182 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3268 0.1318 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 -2.2631 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 -2.5680 -0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 -2.5693 1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4973 -0.6297 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3894 0.6686 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5490 1.2629 2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0296 -0.4552 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3073 2.2300 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8882 1.4720 2.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 0.5704 2.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9216 2.3223 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 2.8288 -0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7341 2.0844 -0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 1.7225 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7738 -0.0786 1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 -1.6196 0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3429 -1.4279 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -2.4728 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -1.2385 -2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 -1.0029 -2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9777 -1.8211 -0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 0.2220 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7632 1.1999 -1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 2.9090 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 3.1990 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 2.5796 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8471 0.9610 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8696 1.0712 1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2194 -0.5441 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5828 -1.4947 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6019 2.1251 1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9532 1.4625 3.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6495 1.9303 3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7961 -2.5607 2.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8118 -3.2677 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2055 -2.5050 -3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0719 -3.0663 -2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0284 0.6359 -2.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 0.5843 -2.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 2.1593 -2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6744 2.8696 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3337 2.2096 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 2.8240 0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 1.7601 1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 6 6 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 9 14 1 0 14 15 1 0 15 16 1 0 16 17 1 6 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 1 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 2 0 32 34 1 0 27 35 1 0 35 36 1 0 36 37 1 0 36 38 2 0 24 39 1 0 39 40 1 6 39 41 1 0 41 42 1 0 19 3 1 0 39 20 1 0 16 5 1 0 42 18 1 0 1 43 1 0 1 44 1 0 1 45 1 0 3 46 1 6 4 47 1 0 4 48 1 0 5 49 1 1 7 50 1 0 7 51 1 0 7 52 1 0 8 53 1 0 8 54 1 0 8 55 1 0 9 56 1 1 12 57 1 0 12 58 1 0 12 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 17 64 1 0 17 65 1 0 17 66 1 0 21 67 1 0 21 68 1 0 21 69 1 0 22 70 1 0 22 71 1 0 23 72 1 0 23 73 1 0 24 74 1 1 25 75 1 6 26 76 1 0 26 77 1 0 26 78 1 0 27 79 1 6 28 80 1 0 28 81 1 0 29 82 1 0 31 83 1 0 31 84 1 0 31 85 1 0 34 86 1 0 37 87 1 0 37 88 1 0 37 89 1 0 40 90 1 0 40 91 1 0 40 92 1 0 41 93 1 0 41 94 1 0 42 95 1 0 42 96 1 0 M END 3D SDF for NP0015062 ((22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid)Mrv1652307042107093D 96 99 0 0 0 0 999 V2000 1.4467 -1.8205 -3.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -1.9076 -2.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 -0.8427 -1.7823 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1913 -1.3617 -1.0959 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5884 -0.5462 0.0779 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0873 -0.6249 0.2946 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8966 -0.2021 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3775 -2.1206 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5232 0.0788 1.5341 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8980 0.4237 1.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -0.0584 2.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3004 0.3659 1.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5760 -0.8505 3.1094 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7814 1.3249 1.8709 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3215 1.3086 1.5865 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0593 0.8332 0.1446 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6658 1.8530 -0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 0.8076 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 -0.1841 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3716 -0.4449 -0.5409 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5926 -0.8745 0.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0914 -1.4130 -1.4096 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5606 -1.0427 -1.1197 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5233 0.3351 -0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7034 1.1013 -0.8760 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7656 2.5119 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9719 0.3850 -0.4435 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0499 0.1773 1.0472 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2895 -0.5103 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1334 0.1083 2.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7682 1.4650 2.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3727 -0.4907 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1299 0.1201 3.4761 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7092 -1.7486 2.2624 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0523 -0.8823 -1.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0592 -1.2392 -1.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -2.6005 -2.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9262 -0.3647 -2.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1654 0.8295 -0.8759 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9956 1.0550 -2.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 1.9585 -0.1132 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7291 1.8421 0.4716 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0084 -0.9195 -4.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9088 -2.7137 -4.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5116 -1.9682 -4.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3229 -0.1758 -2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9906 -1.4855 -1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 -2.4209 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -1.0745 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 0.6116 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5764 -1.0182 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3268 0.1318 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 -2.2631 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 -2.5680 -0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 -2.5693 1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4973 -0.6297 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3894 0.6686 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5490 1.2629 2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0296 -0.4552 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3073 2.2300 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8882 1.4720 2.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 0.5704 2.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9216 2.3223 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 2.8288 -0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7341 2.0844 -0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 1.7225 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7738 -0.0786 1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 -1.6196 0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3429 -1.4279 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -2.4728 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -1.2385 -2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 -1.0029 -2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9777 -1.8211 -0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 0.2220 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7632 1.1999 -1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 2.9090 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 3.1990 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 2.5796 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8471 0.9610 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8696 1.0712 1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2194 -0.5441 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5828 -1.4947 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6019 2.1251 1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9532 1.4625 3.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6495 1.9303 3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7961 -2.5607 2.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8118 -3.2677 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2055 -2.5050 -3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0719 -3.0663 -2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0284 0.6359 -2.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 0.5843 -2.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 2.1593 -2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6744 2.8696 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3337 2.2096 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 2.8240 0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 1.7601 1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 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 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 27 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 24 39 1 0 0 0 0 39 40 1 6 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 19 3 1 0 0 0 0 39 20 1 0 0 0 0 16 5 1 0 0 0 0 42 18 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 3 46 1 6 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 49 1 1 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 8 55 1 0 0 0 0 9 56 1 1 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 14 60 1 0 0 0 0 14 61 1 0 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 17 66 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 74 1 1 0 0 0 25 75 1 6 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 79 1 6 0 0 0 28 80 1 0 0 0 0 28 81 1 0 0 0 0 29 82 1 0 0 0 0 31 83 1 0 0 0 0 31 84 1 0 0 0 0 31 85 1 0 0 0 0 34 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 M END > <DATABASE_ID> NP0015062 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)C(=C(/[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C3=C(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])[C@@]3([H])OC([H])([H])[H])C([H])([H])[H])\C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C35H54O7/c1-20(31(38)39)11-12-26(41-22(3)36)21(2)24-13-18-35(9)30-25(14-17-34(24,35)8)33(7)16-15-29(42-23(4)37)32(5,6)28(33)19-27(30)40-10/h11,21,24,26-29H,12-19H2,1-10H3,(H,38,39)/b20-11+/t21-,24+,26-,27+,28-,29-,33+,34+,35-/m0/s1 > <INCHI_KEY> UBGHTOOEMRLEGM-MJLYOBLKSA-N > <FORMULA> C35H54O7 > <MOLECULAR_WEIGHT> 586.81 > <EXACT_MASS> 586.386954079 > <JCHEM_ACCEPTOR_COUNT> 5 > <JCHEM_ATOM_COUNT> 96 > <JCHEM_AVERAGE_POLARIZABILITY> 68.73434476275204 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2E,5S,6S)-5-(acetyloxy)-6-[(2S,5S,7R,9R,11R,14R,15R)-5-(acetyloxy)-9-methoxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid > <ALOGPS_LOGP> 6.40 > <JCHEM_LOGP> 5.884166580333332 > <ALOGPS_LOGS> -6.13 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA_STRONGEST_ACIDIC> 4.562921927539204 > <JCHEM_PKA_STRONGEST_BASIC> -4.151003230962079 > <JCHEM_POLAR_SURFACE_AREA> 99.13 > <JCHEM_REFRACTIVITY> 162.42410000000004 > <JCHEM_ROTATABLE_BOND_COUNT> 10 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 4.37e-04 g/l > <JCHEM_TRADITIONAL_IUPAC> (2E,5S,6S)-5-(acetyloxy)-6-[(2S,5S,7R,9R,11R,14R,15R)-5-(acetyloxy)-9-methoxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0015062 ((22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid)RDKit 3D 96 99 0 0 0 0 0 0 0 0999 V2000 1.4467 -1.8205 -3.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -1.9076 -2.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 -0.8427 -1.7823 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1913 -1.3617 -1.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5884 -0.5462 0.0779 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0873 -0.6249 0.2946 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8966 -0.2021 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3775 -2.1206 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5232 0.0788 1.5341 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8980 0.4237 1.3822 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -0.0584 2.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3004 0.3659 1.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5760 -0.8505 3.1094 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7814 1.3249 1.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3215 1.3086 1.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0593 0.8332 0.1446 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6658 1.8530 -0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 0.8076 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 -0.1841 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3716 -0.4449 -0.5409 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5926 -0.8745 0.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0914 -1.4130 -1.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 -1.0427 -1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 0.3351 -0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7034 1.1013 -0.8760 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7656 2.5119 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9719 0.3850 -0.4435 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0499 0.1773 1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2895 -0.5103 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1334 0.1083 2.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7682 1.4650 2.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3727 -0.4907 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1299 0.1201 3.4761 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7092 -1.7486 2.2624 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0523 -0.8823 -1.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0592 -1.2392 -1.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -2.6005 -2.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9262 -0.3647 -2.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1654 0.8295 -0.8759 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9956 1.0550 -2.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 1.9585 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 1.8421 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0084 -0.9195 -4.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9088 -2.7137 -4.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5116 -1.9682 -4.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3229 -0.1758 -2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9906 -1.4855 -1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 -2.4209 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -1.0745 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 0.6116 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5764 -1.0182 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3268 0.1318 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 -2.2631 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 -2.5680 -0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 -2.5693 1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4973 -0.6297 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3894 0.6686 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5490 1.2629 2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0296 -0.4552 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3073 2.2300 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8882 1.4720 2.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 0.5704 2.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9216 2.3223 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 2.8288 -0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7341 2.0844 -0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 1.7225 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7738 -0.0786 1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 -1.6196 0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3429 -1.4279 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -2.4728 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -1.2385 -2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 -1.0029 -2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9777 -1.8211 -0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 0.2220 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7632 1.1999 -1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 2.9090 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 3.1990 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 2.5796 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8471 0.9610 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8696 1.0712 1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2194 -0.5441 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5828 -1.4947 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6019 2.1251 1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9532 1.4625 3.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6495 1.9303 3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7961 -2.5607 2.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8118 -3.2677 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2055 -2.5050 -3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0719 -3.0663 -2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0284 0.6359 -2.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 0.5843 -2.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 2.1593 -2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6744 2.8696 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3337 2.2096 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 2.8240 0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 1.7601 1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 6 6 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 9 14 1 0 14 15 1 0 15 16 1 0 16 17 1 6 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 1 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 2 0 32 34 1 0 27 35 1 0 35 36 1 0 36 37 1 0 36 38 2 0 24 39 1 0 39 40 1 6 39 41 1 0 41 42 1 0 19 3 1 0 39 20 1 0 16 5 1 0 42 18 1 0 1 43 1 0 1 44 1 0 1 45 1 0 3 46 1 6 4 47 1 0 4 48 1 0 5 49 1 1 7 50 1 0 7 51 1 0 7 52 1 0 8 53 1 0 8 54 1 0 8 55 1 0 9 56 1 1 12 57 1 0 12 58 1 0 12 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 17 64 1 0 17 65 1 0 17 66 1 0 21 67 1 0 21 68 1 0 21 69 1 0 22 70 1 0 22 71 1 0 23 72 1 0 23 73 1 0 24 74 1 1 25 75 1 6 26 76 1 0 26 77 1 0 26 78 1 0 27 79 1 6 28 80 1 0 28 81 1 0 29 82 1 0 31 83 1 0 31 84 1 0 31 85 1 0 34 86 1 0 37 87 1 0 37 88 1 0 37 89 1 0 40 90 1 0 40 91 1 0 40 92 1 0 41 93 1 0 41 94 1 0 42 95 1 0 42 96 1 0 M END PDB for NP0015062 ((22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 1.447 -1.821 -3.815 0.00 0.00 C+0 HETATM 2 O UNK 0 1.314 -1.908 -2.424 0.00 0.00 O+0 HETATM 3 C UNK 0 1.927 -0.843 -1.782 0.00 0.00 C+0 HETATM 4 C UNK 0 3.191 -1.362 -1.096 0.00 0.00 C+0 HETATM 5 C UNK 0 3.588 -0.546 0.078 0.00 0.00 C+0 HETATM 6 C UNK 0 5.087 -0.625 0.295 0.00 0.00 C+0 HETATM 7 C UNK 0 5.897 -0.202 -0.886 0.00 0.00 C+0 HETATM 8 C UNK 0 5.378 -2.121 0.512 0.00 0.00 C+0 HETATM 9 C UNK 0 5.523 0.079 1.534 0.00 0.00 C+0 HETATM 10 O UNK 0 6.898 0.424 1.382 0.00 0.00 O+0 HETATM 11 C UNK 0 7.900 -0.058 2.187 0.00 0.00 C+0 HETATM 12 C UNK 0 9.300 0.366 1.940 0.00 0.00 C+0 HETATM 13 O UNK 0 7.576 -0.851 3.109 0.00 0.00 O+0 HETATM 14 C UNK 0 4.781 1.325 1.871 0.00 0.00 C+0 HETATM 15 C UNK 0 3.321 1.309 1.587 0.00 0.00 C+0 HETATM 16 C UNK 0 3.059 0.833 0.145 0.00 0.00 C+0 HETATM 17 C UNK 0 3.666 1.853 -0.740 0.00 0.00 C+0 HETATM 18 C UNK 0 1.591 0.808 -0.090 0.00 0.00 C+0 HETATM 19 C UNK 0 1.030 -0.184 -0.829 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.372 -0.445 -0.541 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.593 -0.875 0.890 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.091 -1.413 -1.410 0.00 0.00 C+0 HETATM 23 C UNK 0 -2.561 -1.043 -1.120 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.523 0.335 -0.489 0.00 0.00 C+0 HETATM 25 C UNK 0 -3.703 1.101 -0.876 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.766 2.512 -0.320 0.00 0.00 C+0 HETATM 27 C UNK 0 -4.972 0.385 -0.444 0.00 0.00 C+0 HETATM 28 C UNK 0 -5.050 0.177 1.047 0.00 0.00 C+0 HETATM 29 C UNK 0 -6.290 -0.510 1.440 0.00 0.00 C+0 HETATM 30 C UNK 0 -7.133 0.108 2.267 0.00 0.00 C+0 HETATM 31 C UNK 0 -6.768 1.465 2.747 0.00 0.00 C+0 HETATM 32 C UNK 0 -8.373 -0.491 2.706 0.00 0.00 C+0 HETATM 33 O UNK 0 -9.130 0.120 3.476 0.00 0.00 O+0 HETATM 34 O UNK 0 -8.709 -1.749 2.262 0.00 0.00 O+0 HETATM 35 O UNK 0 -5.052 -0.882 -1.044 0.00 0.00 O+0 HETATM 36 C UNK 0 -6.059 -1.239 -1.921 0.00 0.00 C+0 HETATM 37 C UNK 0 -6.052 -2.600 -2.500 0.00 0.00 C+0 HETATM 38 O UNK 0 -6.926 -0.365 -2.170 0.00 0.00 O+0 HETATM 39 C UNK 0 -1.165 0.830 -0.876 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.996 1.055 -2.351 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.623 1.958 -0.113 0.00 0.00 C+0 HETATM 42 C UNK 0 0.729 1.842 0.472 0.00 0.00 C+0 HETATM 43 H UNK 0 1.008 -0.920 -4.242 0.00 0.00 H+0 HETATM 44 H UNK 0 0.909 -2.714 -4.236 0.00 0.00 H+0 HETATM 45 H UNK 0 2.512 -1.968 -4.050 0.00 0.00 H+0 HETATM 46 H UNK 0 2.323 -0.176 -2.594 0.00 0.00 H+0 HETATM 47 H UNK 0 3.991 -1.486 -1.857 0.00 0.00 H+0 HETATM 48 H UNK 0 2.935 -2.421 -0.791 0.00 0.00 H+0 HETATM 49 H UNK 0 3.163 -1.075 0.991 0.00 0.00 H+0 HETATM 50 H UNK 0 6.622 0.612 -0.591 0.00 0.00 H+0 HETATM 51 H UNK 0 6.576 -1.018 -1.273 0.00 0.00 H+0 HETATM 52 H UNK 0 5.327 0.132 -1.754 0.00 0.00 H+0 HETATM 53 H UNK 0 6.444 -2.263 0.830 0.00 0.00 H+0 HETATM 54 H UNK 0 5.333 -2.568 -0.523 0.00 0.00 H+0 HETATM 55 H UNK 0 4.653 -2.569 1.192 0.00 0.00 H+0 HETATM 56 H UNK 0 5.497 -0.630 2.412 0.00 0.00 H+0 HETATM 57 H UNK 0 9.389 0.669 0.879 0.00 0.00 H+0 HETATM 58 H UNK 0 9.549 1.263 2.546 0.00 0.00 H+0 HETATM 59 H UNK 0 10.030 -0.455 2.099 0.00 0.00 H+0 HETATM 60 H UNK 0 5.307 2.230 1.449 0.00 0.00 H+0 HETATM 61 H UNK 0 4.888 1.472 2.988 0.00 0.00 H+0 HETATM 62 H UNK 0 2.843 0.570 2.247 0.00 0.00 H+0 HETATM 63 H UNK 0 2.922 2.322 1.745 0.00 0.00 H+0 HETATM 64 H UNK 0 3.140 2.829 -0.504 0.00 0.00 H+0 HETATM 65 H UNK 0 4.734 2.084 -0.498 0.00 0.00 H+0 HETATM 66 H UNK 0 3.533 1.722 -1.819 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.774 -0.079 1.601 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.414 -1.620 0.986 0.00 0.00 H+0 HETATM 69 H UNK 0 0.343 -1.428 1.188 0.00 0.00 H+0 HETATM 70 H UNK 0 -0.941 -2.473 -1.121 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.965 -1.238 -2.486 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.099 -1.003 -2.116 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.978 -1.821 -0.453 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.517 0.222 0.616 0.00 0.00 H+0 HETATM 75 H UNK 0 -3.763 1.200 -1.979 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.764 2.909 -0.680 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.026 3.199 -0.770 0.00 0.00 H+0 HETATM 78 H UNK 0 -3.687 2.580 0.763 0.00 0.00 H+0 HETATM 79 H UNK 0 -5.847 0.961 -0.826 0.00 0.00 H+0 HETATM 80 H UNK 0 -4.870 1.071 1.652 0.00 0.00 H+0 HETATM 81 H UNK 0 -4.219 -0.544 1.314 0.00 0.00 H+0 HETATM 82 H UNK 0 -6.583 -1.495 1.109 0.00 0.00 H+0 HETATM 83 H UNK 0 -6.602 2.125 1.859 0.00 0.00 H+0 HETATM 84 H UNK 0 -5.953 1.462 3.468 0.00 0.00 H+0 HETATM 85 H UNK 0 -7.649 1.930 3.272 0.00 0.00 H+0 HETATM 86 H UNK 0 -8.796 -2.561 2.862 0.00 0.00 H+0 HETATM 87 H UNK 0 -6.812 -3.268 -2.048 0.00 0.00 H+0 HETATM 88 H UNK 0 -6.205 -2.505 -3.603 0.00 0.00 H+0 HETATM 89 H UNK 0 -5.072 -3.066 -2.361 0.00 0.00 H+0 HETATM 90 H UNK 0 -0.028 0.636 -2.734 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.788 0.584 -2.967 0.00 0.00 H+0 HETATM 92 H UNK 0 -0.917 2.159 -2.561 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.674 2.870 -0.786 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.334 2.210 0.728 0.00 0.00 H+0 HETATM 95 H UNK 0 1.269 2.824 0.306 0.00 0.00 H+0 HETATM 96 H UNK 0 0.743 1.760 1.600 0.00 0.00 H+0 CONECT 1 2 43 44 45 CONECT 2 1 3 CONECT 3 2 4 19 46 CONECT 4 3 5 47 48 CONECT 5 4 6 16 49 CONECT 6 5 7 8 9 CONECT 7 6 50 51 52 CONECT 8 6 53 54 55 CONECT 9 6 10 14 56 CONECT 10 9 11 CONECT 11 10 12 13 CONECT 12 11 57 58 59 CONECT 13 11 CONECT 14 9 15 60 61 CONECT 15 14 16 62 63 CONECT 16 15 17 18 5 CONECT 17 16 64 65 66 CONECT 18 16 19 42 CONECT 19 18 20 3 CONECT 20 19 21 22 39 CONECT 21 20 67 68 69 CONECT 22 20 23 70 71 CONECT 23 22 24 72 73 CONECT 24 23 25 39 74 CONECT 25 24 26 27 75 CONECT 26 25 76 77 78 CONECT 27 25 28 35 79 CONECT 28 27 29 80 81 CONECT 29 28 30 82 CONECT 30 29 31 32 CONECT 31 30 83 84 85 CONECT 32 30 33 34 CONECT 33 32 CONECT 34 32 86 CONECT 35 27 36 CONECT 36 35 37 38 CONECT 37 36 87 88 89 CONECT 38 36 CONECT 39 24 40 41 20 CONECT 40 39 90 91 92 CONECT 41 39 42 93 94 CONECT 42 41 18 95 96 CONECT 43 1 CONECT 44 1 CONECT 45 1 CONECT 46 3 CONECT 47 4 CONECT 48 4 CONECT 49 5 CONECT 50 7 CONECT 51 7 CONECT 52 7 CONECT 53 8 CONECT 54 8 CONECT 55 8 CONECT 56 9 CONECT 57 12 CONECT 58 12 CONECT 59 12 CONECT 60 14 CONECT 61 14 CONECT 62 15 CONECT 63 15 CONECT 64 17 CONECT 65 17 CONECT 66 17 CONECT 67 21 CONECT 68 21 CONECT 69 21 CONECT 70 22 CONECT 71 22 CONECT 72 23 CONECT 73 23 CONECT 74 24 CONECT 75 25 CONECT 76 26 CONECT 77 26 CONECT 78 26 CONECT 79 27 CONECT 80 28 CONECT 81 28 CONECT 82 29 CONECT 83 31 CONECT 84 31 CONECT 85 31 CONECT 86 34 CONECT 87 37 CONECT 88 37 CONECT 89 37 CONECT 90 40 CONECT 91 40 CONECT 92 40 CONECT 93 41 CONECT 94 41 CONECT 95 42 CONECT 96 42 MASTER 0 0 0 0 0 0 0 0 96 0 198 0 END SMILES for NP0015062 ((22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid)[H]OC(=O)C(=C(/[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C3=C(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])[C@@]3([H])OC([H])([H])[H])C([H])([H])[H])\C([H])([H])[H] INCHI for NP0015062 ((22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid)InChI=1S/C35H54O7/c1-20(31(38)39)11-12-26(41-22(3)36)21(2)24-13-18-35(9)30-25(14-17-34(24,35)8)33(7)16-15-29(42-23(4)37)32(5,6)28(33)19-27(30)40-10/h11,21,24,26-29H,12-19H2,1-10H3,(H,38,39)/b20-11+/t21-,24+,26-,27+,28-,29-,33+,34+,35-/m0/s1 3D Structure for NP0015062 ((22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C35H54O7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 586.8100 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 586.38695 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2E,5S,6S)-5-(acetyloxy)-6-[(2S,5S,7R,9R,11R,14R,15R)-5-(acetyloxy)-9-methoxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2E,5S,6S)-5-(acetyloxy)-6-[(2S,5S,7R,9R,11R,14R,15R)-5-(acetyloxy)-9-methoxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CO[C@@H]1C[C@H]2C(C)(C)[C@H](CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@H](C\C=C(/C)C(O)=O)OC(C)=O)[C@@]1(C)CC2)OC(C)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C35H54O7/c1-20(31(38)39)11-12-26(41-22(3)36)21(2)24-13-18-35(9)30-25(14-17-34(24,35)8)33(7)16-15-29(42-23(4)37)32(5,6)28(33)19-27(30)40-10/h11,21,24,26-29H,12-19H2,1-10H3,(H,38,39)/b20-11+/t21-,24+,26-,27+,28-,29-,33+,34+,35-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | UBGHTOOEMRLEGM-MJLYOBLKSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA021823 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 58914575 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 127032137 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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