Showing NP-Card for Micromonospolide C (NP0025406)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-06-19 17:32:33 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-06-29 23:50:20 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0025406 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Micromonospolide C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | JEOL Database | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Micromonospolide C is found in Micromonospora sp. It was first documented in 2001 (Ohta, E., et al.). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0025406 (Micromonospolide C)Mrv1652306192119323D 101101 0 0 0 0 999 V2000 0.1139 -3.7201 8.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 -3.4441 6.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 -4.0611 6.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6492 -3.7743 4.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4468 -4.3902 3.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 -4.1384 2.2817 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7244 -2.9623 1.9885 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -5.3255 1.4404 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6871 -6.6326 1.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 -4.9446 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -5.3481 -1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6752 -4.8742 -2.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -4.8648 -3.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3627 -4.4615 -3.0631 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0803 -5.6509 -3.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5382 -3.1667 -3.8974 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5667 -3.0741 -4.8142 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 -1.8305 -3.0987 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6786 -1.6474 -2.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8732 -1.6062 -2.2617 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7605 -0.3587 -1.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 -0.3959 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -1.4087 0.4432 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 0.9804 0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 1.2611 0.9419 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7436 0.6805 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 1.9646 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 1.9438 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7974 0.9174 0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3474 2.8817 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 4.0725 -1.6210 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0699 5.3183 -0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 4.3003 -3.1473 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1798 4.4140 -3.4575 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9003 3.3039 -4.1201 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2355 1.9279 -4.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 3.1947 -3.8459 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2699 2.7912 -5.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 3.8019 -6.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0271 1.6787 -5.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0991 0.6251 -4.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1968 -0.3666 -4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 -1.5319 -3.1010 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3275 -1.4098 -2.2298 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8339 -2.6664 -1.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 -2.8044 8.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 -4.4836 8.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -4.0666 8.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 -2.6923 6.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3853 -4.8107 6.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0591 -3.0229 4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 -5.1323 4.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -3.9420 2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3415 -2.3606 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1177 -5.4960 1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7665 -6.5086 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -7.4320 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5205 -6.9818 2.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0877 -4.2319 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 -6.0030 -0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4224 -4.3143 -2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1007 -6.5760 -3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 -5.4970 -4.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6056 -5.8090 -4.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -3.2495 -4.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3889 -2.3401 -5.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 -1.0220 -3.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6159 -2.2080 -1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5831 -1.9631 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8163 -0.5911 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 -2.4300 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7844 -0.3989 0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6466 1.1190 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 0.9127 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8003 2.9265 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8777 1.0809 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 0.9786 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4444 -0.1034 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3997 2.8414 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 3.9751 -1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4707 6.2096 -1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1415 5.5015 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1152 5.2103 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 5.2871 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2553 4.6112 -4.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 3.7286 -5.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6267 1.3392 -4.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 1.3653 -3.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8467 2.0070 -4.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 4.1721 -3.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5863 2.5200 -2.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0939 3.5446 -6.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 3.8671 -6.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 4.7917 -5.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6796 1.5225 -5.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9548 0.6449 -3.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -0.3643 -4.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -2.4359 -3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0937 -3.2002 -1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7108 -2.4806 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1448 -3.2730 -2.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 22 21 1 0 0 0 0 12 11 1 0 0 0 0 10 8 1 0 0 0 0 24 22 1 0 0 0 0 8 6 1 0 0 0 0 33 35 1 0 0 0 0 6 5 1 0 0 0 0 22 23 2 0 0 0 0 5 4 2 0 0 0 0 37 35 1 0 0 0 0 4 3 1 0 0 0 0 38 40 2 0 0 0 0 28 29 1 0 0 0 0 10 11 2 0 0 0 0 38 39 1 0 0 0 0 40 41 1 0 0 0 0 16 17 1 0 0 0 0 31 30 1 0 0 0 0 14 15 1 0 0 0 0 41 42 2 0 0 0 0 43 44 1 0 0 0 0 31 33 1 0 0 0 0 31 32 1 0 0 0 0 42 43 1 0 0 0 0 33 34 1 0 0 0 0 30 28 2 0 0 0 0 35 36 1 0 0 0 0 43 20 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 20 18 1 0 0 0 0 44 45 1 0 0 0 0 28 27 1 0 0 0 0 18 19 1 0 0 0 0 18 16 1 0 0 0 0 12 13 2 0 0 0 0 38 37 1 0 0 0 0 8 9 1 0 0 0 0 16 14 1 0 0 0 0 6 7 1 0 0 0 0 14 12 1 0 0 0 0 3 2 2 0 0 0 0 27 24 2 0 0 0 0 2 1 1 0 0 0 0 20 21 1 0 0 0 0 10 59 1 0 0 0 0 11 60 1 0 0 0 0 31 80 1 6 0 0 0 33 84 1 6 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 35 86 1 6 0 0 0 30 79 1 0 0 0 0 27 75 1 0 0 0 0 40 95 1 0 0 0 0 41 96 1 0 0 0 0 42 97 1 0 0 0 0 43 98 1 6 0 0 0 20 71 1 1 0 0 0 18 67 1 6 0 0 0 16 65 1 6 0 0 0 14 61 1 1 0 0 0 8 55 1 1 0 0 0 6 53 1 6 0 0 0 5 52 1 0 0 0 0 4 51 1 0 0 0 0 3 50 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 17 66 1 0 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 34 85 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 9 56 1 0 0 0 0 9 57 1 0 0 0 0 9 58 1 0 0 0 0 7 54 1 0 0 0 0 2 49 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 M END 3D MOL for NP0025406 (Micromonospolide C)RDKit 3D 101101 0 0 0 0 0 0 0 0999 V2000 0.1139 -3.7201 8.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 -3.4441 6.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 -4.0611 6.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6492 -3.7743 4.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4468 -4.3902 3.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 -4.1384 2.2817 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7244 -2.9623 1.9885 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -5.3255 1.4404 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6871 -6.6326 1.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 -4.9446 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -5.3481 -1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6752 -4.8742 -2.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -4.8648 -3.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3627 -4.4615 -3.0631 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0803 -5.6509 -3.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5382 -3.1667 -3.8974 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5667 -3.0741 -4.8142 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 -1.8305 -3.0987 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6786 -1.6474 -2.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8732 -1.6062 -2.2617 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7605 -0.3587 -1.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 -0.3959 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -1.4087 0.4432 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 0.9804 0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 1.2611 0.9419 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7436 0.6805 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 1.9646 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 1.9438 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7974 0.9174 0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3474 2.8817 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 4.0725 -1.6210 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0699 5.3183 -0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 4.3003 -3.1473 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1798 4.4140 -3.4575 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9003 3.3039 -4.1201 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2355 1.9279 -4.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 3.1947 -3.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2699 2.7912 -5.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 3.8019 -6.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0271 1.6787 -5.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0991 0.6251 -4.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1968 -0.3666 -4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 -1.5319 -3.1010 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3275 -1.4098 -2.2298 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8339 -2.6664 -1.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 -2.8044 8.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 -4.4836 8.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -4.0666 8.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 -2.6923 6.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3853 -4.8107 6.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0591 -3.0229 4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 -5.1323 4.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -3.9420 2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3415 -2.3606 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1177 -5.4960 1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7665 -6.5086 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -7.4320 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5205 -6.9818 2.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0877 -4.2319 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 -6.0030 -0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4224 -4.3143 -2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1007 -6.5760 -3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 -5.4970 -4.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6056 -5.8090 -4.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -3.2495 -4.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3889 -2.3401 -5.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 -1.0220 -3.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6159 -2.2080 -1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5831 -1.9631 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8163 -0.5911 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 -2.4300 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7844 -0.3989 0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6466 1.1190 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 0.9127 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8003 2.9265 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8777 1.0809 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 0.9786 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4444 -0.1034 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3997 2.8414 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 3.9751 -1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4707 6.2096 -1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1415 5.5015 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1152 5.2103 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 5.2871 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2553 4.6112 -4.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 3.7286 -5.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6267 1.3392 -4.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 1.3653 -3.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8467 2.0070 -4.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 4.1721 -3.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5863 2.5200 -2.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0939 3.5446 -6.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 3.8671 -6.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 4.7917 -5.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6796 1.5225 -5.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9548 0.6449 -3.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -0.3643 -4.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -2.4359 -3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0937 -3.2002 -1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7108 -2.4806 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1448 -3.2730 -2.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 22 21 1 0 12 11 1 0 10 8 1 0 24 22 1 0 8 6 1 0 33 35 1 0 6 5 1 0 22 23 2 0 5 4 2 0 37 35 1 0 4 3 1 0 38 40 2 0 28 29 1 0 10 11 2 0 38 39 1 0 40 41 1 0 16 17 1 0 31 30 1 0 14 15 1 0 41 42 2 0 43 44 1 0 31 33 1 0 31 32 1 0 42 43 1 0 33 34 1 0 30 28 2 0 35 36 1 0 43 20 1 0 24 25 1 0 25 26 1 0 20 18 1 0 44 45 1 0 28 27 1 0 18 19 1 0 18 16 1 0 12 13 2 0 38 37 1 0 8 9 1 0 16 14 1 0 6 7 1 0 14 12 1 0 3 2 2 0 27 24 2 0 2 1 1 0 20 21 1 0 10 59 1 0 11 60 1 0 31 80 1 6 33 84 1 6 37 90 1 0 37 91 1 0 35 86 1 6 30 79 1 0 27 75 1 0 40 95 1 0 41 96 1 0 42 97 1 0 43 98 1 6 20 71 1 1 18 67 1 6 16 65 1 6 14 61 1 1 8 55 1 1 6 53 1 6 5 52 1 0 4 51 1 0 3 50 1 0 29 76 1 0 29 77 1 0 29 78 1 0 39 92 1 0 39 93 1 0 39 94 1 0 17 66 1 0 15 62 1 0 15 63 1 0 15 64 1 0 32 81 1 0 32 82 1 0 32 83 1 0 34 85 1 0 36 87 1 0 36 88 1 0 36 89 1 0 26 72 1 0 26 73 1 0 26 74 1 0 45 99 1 0 45100 1 0 45101 1 0 19 68 1 0 19 69 1 0 19 70 1 0 9 56 1 0 9 57 1 0 9 58 1 0 7 54 1 0 2 49 1 0 1 46 1 0 1 47 1 0 1 48 1 0 M END 3D SDF for NP0025406 (Micromonospolide C)Mrv1652306192119323D 101101 0 0 0 0 999 V2000 0.1139 -3.7201 8.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 -3.4441 6.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 -4.0611 6.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6492 -3.7743 4.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4468 -4.3902 3.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 -4.1384 2.2817 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7244 -2.9623 1.9885 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -5.3255 1.4404 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6871 -6.6326 1.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 -4.9446 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -5.3481 -1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6752 -4.8742 -2.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -4.8648 -3.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3627 -4.4615 -3.0631 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0803 -5.6509 -3.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5382 -3.1667 -3.8974 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5667 -3.0741 -4.8142 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 -1.8305 -3.0987 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6786 -1.6474 -2.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8732 -1.6062 -2.2617 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7605 -0.3587 -1.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 -0.3959 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -1.4087 0.4432 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 0.9804 0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 1.2611 0.9419 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7436 0.6805 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 1.9646 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 1.9438 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7974 0.9174 0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3474 2.8817 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 4.0725 -1.6210 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0699 5.3183 -0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 4.3003 -3.1473 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1798 4.4140 -3.4575 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9003 3.3039 -4.1201 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2355 1.9279 -4.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 3.1947 -3.8459 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2699 2.7912 -5.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 3.8019 -6.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0271 1.6787 -5.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0991 0.6251 -4.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1968 -0.3666 -4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 -1.5319 -3.1010 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3275 -1.4098 -2.2298 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8339 -2.6664 -1.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 -2.8044 8.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 -4.4836 8.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -4.0666 8.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 -2.6923 6.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3853 -4.8107 6.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0591 -3.0229 4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 -5.1323 4.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -3.9420 2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3415 -2.3606 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1177 -5.4960 1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7665 -6.5086 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -7.4320 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5205 -6.9818 2.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0877 -4.2319 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 -6.0030 -0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4224 -4.3143 -2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1007 -6.5760 -3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 -5.4970 -4.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6056 -5.8090 -4.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -3.2495 -4.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3889 -2.3401 -5.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 -1.0220 -3.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6159 -2.2080 -1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5831 -1.9631 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8163 -0.5911 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 -2.4300 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7844 -0.3989 0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6466 1.1190 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 0.9127 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8003 2.9265 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8777 1.0809 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 0.9786 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4444 -0.1034 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3997 2.8414 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 3.9751 -1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4707 6.2096 -1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1415 5.5015 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1152 5.2103 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 5.2871 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2553 4.6112 -4.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 3.7286 -5.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6267 1.3392 -4.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 1.3653 -3.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8467 2.0070 -4.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 4.1721 -3.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5863 2.5200 -2.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0939 3.5446 -6.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 3.8671 -6.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 4.7917 -5.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6796 1.5225 -5.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9548 0.6449 -3.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -0.3643 -4.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -2.4359 -3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0937 -3.2002 -1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7108 -2.4806 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1448 -3.2730 -2.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 22 21 1 0 0 0 0 12 11 1 0 0 0 0 10 8 1 0 0 0 0 24 22 1 0 0 0 0 8 6 1 0 0 0 0 33 35 1 0 0 0 0 6 5 1 0 0 0 0 22 23 2 0 0 0 0 5 4 2 0 0 0 0 37 35 1 0 0 0 0 4 3 1 0 0 0 0 38 40 2 0 0 0 0 28 29 1 0 0 0 0 10 11 2 0 0 0 0 38 39 1 0 0 0 0 40 41 1 0 0 0 0 16 17 1 0 0 0 0 31 30 1 0 0 0 0 14 15 1 0 0 0 0 41 42 2 0 0 0 0 43 44 1 0 0 0 0 31 33 1 0 0 0 0 31 32 1 0 0 0 0 42 43 1 0 0 0 0 33 34 1 0 0 0 0 30 28 2 0 0 0 0 35 36 1 0 0 0 0 43 20 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 20 18 1 0 0 0 0 44 45 1 0 0 0 0 28 27 1 0 0 0 0 18 19 1 0 0 0 0 18 16 1 0 0 0 0 12 13 2 0 0 0 0 38 37 1 0 0 0 0 8 9 1 0 0 0 0 16 14 1 0 0 0 0 6 7 1 0 0 0 0 14 12 1 0 0 0 0 3 2 2 0 0 0 0 27 24 2 0 0 0 0 2 1 1 0 0 0 0 20 21 1 0 0 0 0 10 59 1 0 0 0 0 11 60 1 0 0 0 0 31 80 1 6 0 0 0 33 84 1 6 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 35 86 1 6 0 0 0 30 79 1 0 0 0 0 27 75 1 0 0 0 0 40 95 1 0 0 0 0 41 96 1 0 0 0 0 42 97 1 0 0 0 0 43 98 1 6 0 0 0 20 71 1 1 0 0 0 18 67 1 6 0 0 0 16 65 1 6 0 0 0 14 61 1 1 0 0 0 8 55 1 1 0 0 0 6 53 1 6 0 0 0 5 52 1 0 0 0 0 4 51 1 0 0 0 0 3 50 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 17 66 1 0 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 34 85 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 9 56 1 0 0 0 0 9 57 1 0 0 0 0 9 58 1 0 0 0 0 7 54 1 0 0 0 0 2 49 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 M END > <DATABASE_ID> NP0025406 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])[H])[C@]([H])(C(\[H])=C(/[H])C(=O)[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])OC(=O)\C(OC([H])([H])[H])=C(\[H])/C(=C([H])\[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])\C(=C(\[H])/C(/[H])=C([H])/[C@]1([H])OC([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C37H56O8/c1-11-12-13-16-30(38)25(4)18-19-31(39)28(7)35(41)29(8)36-32(43-9)17-14-15-23(2)20-26(5)34(40)27(6)21-24(3)22-33(44-10)37(42)45-36/h11-19,21-22,25-30,32,34-36,38,40-41H,20H2,1-10H3/b12-11+,16-13+,17-14+,19-18+,23-15-,24-21-,33-22+/t25-,26-,27+,28+,29-,30+,32-,34-,35-,36+/m0/s1 > <INCHI_KEY> VCXZNDFZPMEAMI-AUHLDNKXSA-N > <FORMULA> C37H56O8 > <MOLECULAR_WEIGHT> 628.847 > <EXACT_MASS> 628.397518763 > <JCHEM_ACCEPTOR_COUNT> 7 > <JCHEM_ATOM_COUNT> 101 > <JCHEM_AVERAGE_POLARIZABILITY> 71.89441149752318 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 3 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3E,5Z,7R,8S,9S,11Z,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R,10E,12E)-3,9-dihydroxy-4,8-dimethyl-5-oxotetradeca-6,10,12-trien-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one > <ALOGPS_LOGP> 5.37 > <JCHEM_LOGP> 6.110429917000001 > <ALOGPS_LOGS> -5.32 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 18.375677435995673 > <JCHEM_PKA_STRONGEST_ACIDIC> 14.437076068751772 > <JCHEM_PKA_STRONGEST_BASIC> -0.6346895009508707 > <JCHEM_POLAR_SURFACE_AREA> 122.52000000000002 > <JCHEM_REFRACTIVITY> 187.18780000000004 > <JCHEM_ROTATABLE_BOND_COUNT> 11 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 3.02e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (3E,5Z,7R,8S,9S,11Z,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R,10E,12E)-3,9-dihydroxy-4,8-dimethyl-5-oxotetradeca-6,10,12-trien-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0025406 (Micromonospolide C)RDKit 3D 101101 0 0 0 0 0 0 0 0999 V2000 0.1139 -3.7201 8.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 -3.4441 6.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 -4.0611 6.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6492 -3.7743 4.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4468 -4.3902 3.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 -4.1384 2.2817 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7244 -2.9623 1.9885 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -5.3255 1.4404 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6871 -6.6326 1.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 -4.9446 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7175 -5.3481 -1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6752 -4.8742 -2.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -4.8648 -3.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3627 -4.4615 -3.0631 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0803 -5.6509 -3.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5382 -3.1667 -3.8974 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5667 -3.0741 -4.8142 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 -1.8305 -3.0987 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6786 -1.6474 -2.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8732 -1.6062 -2.2617 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7605 -0.3587 -1.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1536 -0.3959 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -1.4087 0.4432 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 0.9804 0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 1.2611 0.9419 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7436 0.6805 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 1.9646 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 1.9438 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7974 0.9174 0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3474 2.8817 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 4.0725 -1.6210 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0699 5.3183 -0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 4.3003 -3.1473 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1798 4.4140 -3.4575 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9003 3.3039 -4.1201 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2355 1.9279 -4.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 3.1947 -3.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2699 2.7912 -5.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 3.8019 -6.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0271 1.6787 -5.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0991 0.6251 -4.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1968 -0.3666 -4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 -1.5319 -3.1010 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3275 -1.4098 -2.2298 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8339 -2.6664 -1.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 -2.8044 8.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 -4.4836 8.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -4.0666 8.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 -2.6923 6.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3853 -4.8107 6.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0591 -3.0229 4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 -5.1323 4.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -3.9420 2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3415 -2.3606 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1177 -5.4960 1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7665 -6.5086 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -7.4320 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5205 -6.9818 2.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0877 -4.2319 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 -6.0030 -0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4224 -4.3143 -2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1007 -6.5760 -3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 -5.4970 -4.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6056 -5.8090 -4.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -3.2495 -4.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3889 -2.3401 -5.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 -1.0220 -3.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6159 -2.2080 -1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5831 -1.9631 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8163 -0.5911 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 -2.4300 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7844 -0.3989 0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6466 1.1190 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 0.9127 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8003 2.9265 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8777 1.0809 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 0.9786 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4444 -0.1034 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3997 2.8414 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 3.9751 -1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4707 6.2096 -1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1415 5.5015 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1152 5.2103 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 5.2871 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2553 4.6112 -4.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 3.7286 -5.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6267 1.3392 -4.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 1.3653 -3.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8467 2.0070 -4.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 4.1721 -3.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5863 2.5200 -2.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0939 3.5446 -6.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 3.8671 -6.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 4.7917 -5.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6796 1.5225 -5.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9548 0.6449 -3.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -0.3643 -4.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -2.4359 -3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0937 -3.2002 -1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7108 -2.4806 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1448 -3.2730 -2.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 22 21 1 0 12 11 1 0 10 8 1 0 24 22 1 0 8 6 1 0 33 35 1 0 6 5 1 0 22 23 2 0 5 4 2 0 37 35 1 0 4 3 1 0 38 40 2 0 28 29 1 0 10 11 2 0 38 39 1 0 40 41 1 0 16 17 1 0 31 30 1 0 14 15 1 0 41 42 2 0 43 44 1 0 31 33 1 0 31 32 1 0 42 43 1 0 33 34 1 0 30 28 2 0 35 36 1 0 43 20 1 0 24 25 1 0 25 26 1 0 20 18 1 0 44 45 1 0 28 27 1 0 18 19 1 0 18 16 1 0 12 13 2 0 38 37 1 0 8 9 1 0 16 14 1 0 6 7 1 0 14 12 1 0 3 2 2 0 27 24 2 0 2 1 1 0 20 21 1 0 10 59 1 0 11 60 1 0 31 80 1 6 33 84 1 6 37 90 1 0 37 91 1 0 35 86 1 6 30 79 1 0 27 75 1 0 40 95 1 0 41 96 1 0 42 97 1 0 43 98 1 6 20 71 1 1 18 67 1 6 16 65 1 6 14 61 1 1 8 55 1 1 6 53 1 6 5 52 1 0 4 51 1 0 3 50 1 0 29 76 1 0 29 77 1 0 29 78 1 0 39 92 1 0 39 93 1 0 39 94 1 0 17 66 1 0 15 62 1 0 15 63 1 0 15 64 1 0 32 81 1 0 32 82 1 0 32 83 1 0 34 85 1 0 36 87 1 0 36 88 1 0 36 89 1 0 26 72 1 0 26 73 1 0 26 74 1 0 45 99 1 0 45100 1 0 45101 1 0 19 68 1 0 19 69 1 0 19 70 1 0 9 56 1 0 9 57 1 0 9 58 1 0 7 54 1 0 2 49 1 0 1 46 1 0 1 47 1 0 1 48 1 0 M END PDB for NP0025406 (Micromonospolide C)HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 0.114 -3.720 8.422 0.00 0.00 C+0 HETATM 2 C UNK 0 0.123 -3.444 6.954 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.678 -4.061 6.073 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.649 -3.774 4.657 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.447 -4.390 3.770 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.484 -4.138 2.282 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.724 -2.962 1.988 0.00 0.00 O+0 HETATM 8 C UNK 0 -0.929 -5.325 1.440 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.687 -6.633 1.708 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.880 -4.945 -0.035 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.718 -5.348 -1.001 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.675 -4.874 -2.413 0.00 0.00 C+0 HETATM 13 O UNK 0 -2.737 -4.865 -3.039 0.00 0.00 O+0 HETATM 14 C UNK 0 -0.363 -4.462 -3.063 0.00 0.00 C+0 HETATM 15 C UNK 0 0.080 -5.651 -3.928 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.538 -3.167 -3.897 0.00 0.00 C+0 HETATM 17 O UNK 0 0.567 -3.074 -4.814 0.00 0.00 O+0 HETATM 18 C UNK 0 -0.583 -1.831 -3.099 0.00 0.00 C+0 HETATM 19 C UNK 0 0.679 -1.647 -2.239 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.873 -1.606 -2.262 0.00 0.00 C+0 HETATM 21 O UNK 0 -1.761 -0.359 -1.516 0.00 0.00 O+0 HETATM 22 C UNK 0 -2.154 -0.396 -0.217 0.00 0.00 C+0 HETATM 23 O UNK 0 -2.359 -1.409 0.443 0.00 0.00 O+0 HETATM 24 C UNK 0 -2.406 0.980 0.310 0.00 0.00 C+0 HETATM 25 O UNK 0 -3.619 1.261 0.942 0.00 0.00 O+0 HETATM 26 C UNK 0 -4.744 0.681 0.286 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.492 1.965 0.280 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.124 1.944 -0.204 0.00 0.00 C+0 HETATM 29 C UNK 0 0.797 0.917 0.406 0.00 0.00 C+0 HETATM 30 C UNK 0 0.347 2.882 -1.051 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.403 4.072 -1.621 0.00 0.00 C+0 HETATM 32 C UNK 0 0.070 5.318 -0.852 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.215 4.300 -3.147 0.00 0.00 C+0 HETATM 34 O UNK 0 1.180 4.414 -3.458 0.00 0.00 O+0 HETATM 35 C UNK 0 -0.900 3.304 -4.120 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.236 1.928 -4.162 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.418 3.195 -3.846 0.00 0.00 C+0 HETATM 38 C UNK 0 -3.270 2.791 -5.040 0.00 0.00 C+0 HETATM 39 C UNK 0 -3.335 3.802 -6.159 0.00 0.00 C+0 HETATM 40 C UNK 0 -4.027 1.679 -5.110 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.099 0.625 -4.128 0.00 0.00 C+0 HETATM 42 C UNK 0 -3.197 -0.367 -4.070 0.00 0.00 C+0 HETATM 43 C UNK 0 -3.190 -1.532 -3.101 0.00 0.00 C+0 HETATM 44 O UNK 0 -4.327 -1.410 -2.230 0.00 0.00 O+0 HETATM 45 C UNK 0 -4.834 -2.666 -1.797 0.00 0.00 C+0 HETATM 46 H UNK 0 -0.125 -2.804 8.972 0.00 0.00 H+0 HETATM 47 H UNK 0 -0.621 -4.484 8.696 0.00 0.00 H+0 HETATM 48 H UNK 0 1.101 -4.067 8.742 0.00 0.00 H+0 HETATM 49 H UNK 0 0.832 -2.692 6.614 0.00 0.00 H+0 HETATM 50 H UNK 0 -1.385 -4.811 6.420 0.00 0.00 H+0 HETATM 51 H UNK 0 0.059 -3.023 4.312 0.00 0.00 H+0 HETATM 52 H UNK 0 -2.156 -5.132 4.129 0.00 0.00 H+0 HETATM 53 H UNK 0 -2.527 -3.942 2.000 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.341 -2.361 1.518 0.00 0.00 H+0 HETATM 55 H UNK 0 0.118 -5.496 1.731 0.00 0.00 H+0 HETATM 56 H UNK 0 -2.767 -6.509 1.569 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.344 -7.432 1.042 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.521 -6.982 2.733 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.088 -4.232 -0.255 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.557 -6.003 -0.791 0.00 0.00 H+0 HETATM 61 H UNK 0 0.422 -4.314 -2.319 0.00 0.00 H+0 HETATM 62 H UNK 0 0.101 -6.576 -3.341 0.00 0.00 H+0 HETATM 63 H UNK 0 1.087 -5.497 -4.331 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.606 -5.809 -4.768 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.430 -3.249 -4.527 0.00 0.00 H+0 HETATM 66 H UNK 0 0.389 -2.340 -5.428 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.513 -1.022 -3.836 0.00 0.00 H+0 HETATM 68 H UNK 0 0.616 -2.208 -1.302 0.00 0.00 H+0 HETATM 69 H UNK 0 1.583 -1.963 -2.768 0.00 0.00 H+0 HETATM 70 H UNK 0 0.816 -0.591 -1.993 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.957 -2.430 -1.551 0.00 0.00 H+0 HETATM 72 H UNK 0 -4.784 -0.399 0.456 0.00 0.00 H+0 HETATM 73 H UNK 0 -5.647 1.119 0.721 0.00 0.00 H+0 HETATM 74 H UNK 0 -4.740 0.913 -0.784 0.00 0.00 H+0 HETATM 75 H UNK 0 -1.800 2.926 0.690 0.00 0.00 H+0 HETATM 76 H UNK 0 0.878 1.081 1.486 0.00 0.00 H+0 HETATM 77 H UNK 0 1.809 0.979 -0.010 0.00 0.00 H+0 HETATM 78 H UNK 0 0.444 -0.103 0.248 0.00 0.00 H+0 HETATM 79 H UNK 0 1.400 2.841 -1.337 0.00 0.00 H+0 HETATM 80 H UNK 0 -1.476 3.975 -1.428 0.00 0.00 H+0 HETATM 81 H UNK 0 -0.471 6.210 -1.189 0.00 0.00 H+0 HETATM 82 H UNK 0 1.141 5.502 -0.990 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.115 5.210 0.223 0.00 0.00 H+0 HETATM 84 H UNK 0 -0.643 5.287 -3.373 0.00 0.00 H+0 HETATM 85 H UNK 0 1.255 4.611 -4.407 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.748 3.729 -5.121 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.627 1.339 -4.998 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.419 1.365 -3.245 0.00 0.00 H+0 HETATM 89 H UNK 0 0.847 2.007 -4.305 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.795 4.172 -3.515 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.586 2.520 -2.998 0.00 0.00 H+0 HETATM 92 H UNK 0 -4.094 3.545 -6.906 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.375 3.867 -6.679 0.00 0.00 H+0 HETATM 94 H UNK 0 -3.589 4.792 -5.765 0.00 0.00 H+0 HETATM 95 H UNK 0 -4.680 1.523 -5.968 0.00 0.00 H+0 HETATM 96 H UNK 0 -4.955 0.645 -3.458 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.396 -0.364 -4.805 0.00 0.00 H+0 HETATM 98 H UNK 0 -3.307 -2.436 -3.707 0.00 0.00 H+0 HETATM 99 H UNK 0 -4.094 -3.200 -1.197 0.00 0.00 H+0 HETATM 100 H UNK 0 -5.711 -2.481 -1.171 0.00 0.00 H+0 HETATM 101 H UNK 0 -5.145 -3.273 -2.652 0.00 0.00 H+0 CONECT 1 2 46 47 48 CONECT 2 3 1 49 CONECT 3 4 2 50 CONECT 4 5 3 51 CONECT 5 6 4 52 CONECT 6 8 5 7 53 CONECT 7 6 54 CONECT 8 10 6 9 55 CONECT 9 8 56 57 58 CONECT 10 8 11 59 CONECT 11 12 10 60 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 15 16 12 61 CONECT 15 14 62 63 64 CONECT 16 17 18 14 65 CONECT 17 16 66 CONECT 18 20 19 16 67 CONECT 19 18 68 69 70 CONECT 20 43 18 21 71 CONECT 21 22 20 CONECT 22 21 24 23 CONECT 23 22 CONECT 24 22 25 27 CONECT 25 24 26 CONECT 26 25 72 73 74 CONECT 27 28 24 75 CONECT 28 29 30 27 CONECT 29 28 76 77 78 CONECT 30 31 28 79 CONECT 31 30 33 32 80 CONECT 32 31 81 82 83 CONECT 33 35 31 34 84 CONECT 34 33 85 CONECT 35 33 37 36 86 CONECT 36 35 87 88 89 CONECT 37 35 38 90 91 CONECT 38 40 39 37 CONECT 39 38 92 93 94 CONECT 40 38 41 95 CONECT 41 40 42 96 CONECT 42 41 43 97 CONECT 43 44 42 20 98 CONECT 44 43 45 CONECT 45 44 99 100 101 CONECT 46 1 CONECT 47 1 CONECT 48 1 CONECT 49 2 CONECT 50 3 CONECT 51 4 CONECT 52 5 CONECT 53 6 CONECT 54 7 CONECT 55 8 CONECT 56 9 CONECT 57 9 CONECT 58 9 CONECT 59 10 CONECT 60 11 CONECT 61 14 CONECT 62 15 CONECT 63 15 CONECT 64 15 CONECT 65 16 CONECT 66 17 CONECT 67 18 CONECT 68 19 CONECT 69 19 CONECT 70 19 CONECT 71 20 CONECT 72 26 CONECT 73 26 CONECT 74 26 CONECT 75 27 CONECT 76 29 CONECT 77 29 CONECT 78 29 CONECT 79 30 CONECT 80 31 CONECT 81 32 CONECT 82 32 CONECT 83 32 CONECT 84 33 CONECT 85 34 CONECT 86 35 CONECT 87 36 CONECT 88 36 CONECT 89 36 CONECT 90 37 CONECT 91 37 CONECT 92 39 CONECT 93 39 CONECT 94 39 CONECT 95 40 CONECT 96 41 CONECT 97 42 CONECT 98 43 CONECT 99 45 CONECT 100 45 CONECT 101 45 MASTER 0 0 0 0 0 0 0 0 101 0 202 0 END SMILES for NP0025406 (Micromonospolide C)[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])[H])[C@]([H])(C(\[H])=C(/[H])C(=O)[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])OC(=O)\C(OC([H])([H])[H])=C(\[H])/C(=C([H])\[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])\C(=C(\[H])/C(/[H])=C([H])/[C@]1([H])OC([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])C([H])([H])[H] INCHI for NP0025406 (Micromonospolide C)InChI=1S/C37H56O8/c1-11-12-13-16-30(38)25(4)18-19-31(39)28(7)35(41)29(8)36-32(43-9)17-14-15-23(2)20-26(5)34(40)27(6)21-24(3)22-33(44-10)37(42)45-36/h11-19,21-22,25-30,32,34-36,38,40-41H,20H2,1-10H3/b12-11+,16-13+,17-14+,19-18+,23-15-,24-21-,33-22+/t25-,26-,27+,28+,29-,30+,32-,34-,35-,36+/m0/s1 3D Structure for NP0025406 (Micromonospolide C) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C37H56O8 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 628.8470 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 628.39752 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3E,5Z,7R,8S,9S,11Z,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R,10E,12E)-3,9-dihydroxy-4,8-dimethyl-5-oxotetradeca-6,10,12-trien-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3E,5Z,7R,8S,9S,11Z,13E,15S,16R)-16-[(2S,3R,4S,6E,8S,9R,10E,12E)-3,9-dihydroxy-4,8-dimethyl-5-oxotetradeca-6,10,12-trien-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | [H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])[H])[C@]([H])(C(\[H])=C(/[H])C(=O)[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])OC(=O)\C(OC([H])([H])[H])=C(\[H])/C(=C([H])\[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])\C(=C(\[H])/C(/[H])=C([H])/[C@]1([H])OC([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])C([H])([H])[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C37H56O8/c1-11-12-13-16-30(38)25(4)18-19-31(39)28(7)35(41)29(8)36-32(43-9)17-14-15-23(2)20-26(5)34(40)27(6)21-24(3)22-33(44-10)37(42)45-36/h11-19,21-22,25-30,32,34-36,38,40-41H,20H2,1-10H3/b12-11+,16-13+,17-14+,19-18+,23-15-,24-21-,33-22+/t25-,26-,27+,28+,29-,30+,32-,34-,35-,36+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | VCXZNDFZPMEAMI-AUHLDNKXSA-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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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