Showing NP-Card for Tolypocladin F (NP0019154)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 04:44:28 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:30:12 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0019154 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Tolypocladin F | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Tolypocladin F is found in Tolypocladium. It was first documented in 2019 (PMID: 30702286). Based on a literature review very few articles have been published on Tolypocladin F. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0019154 (Tolypocladin F)Mrv1652307042107433D 96103 0 0 0 0 999 V2000 6.3103 -3.1626 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4332 -2.2708 0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6053 -2.1893 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3891 -1.5702 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2579 -1.5815 -1.5219 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0602 -1.9477 -0.9626 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1426 -0.9103 -1.1213 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8148 0.3337 -0.5651 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8525 1.3356 -0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9577 1.1516 0.5208 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0777 2.3581 0.5236 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7441 2.1496 1.1875 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0145 0.9474 0.6276 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1702 1.1551 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 0.7350 1.2259 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3292 0.6670 2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 1.6494 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 2.9040 0.4004 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9632 2.9924 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7509 4.0431 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1038 3.9249 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 2.6966 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9359 1.6288 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5888 0.3157 0.2675 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3466 -0.5334 -0.9599 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9066 0.1412 -2.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9765 -1.8822 -0.8855 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4239 -2.7285 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4769 -1.8125 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7107 -2.5809 -2.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 1.7738 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 0.9181 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2697 -0.5003 1.1575 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8516 -0.5870 0.6567 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0897 -1.7701 1.0678 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3327 -1.5689 0.5308 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8901 -0.2461 0.9190 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0538 -0.2652 2.3254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -0.1397 0.3402 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0696 -1.2289 1.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 -1.1837 -0.3752 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9018 0.7083 -1.5488 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0257 1.3773 -0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3445 1.7210 -2.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 -0.4164 -2.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4638 -2.5594 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9934 -3.8213 0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 -3.8439 1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 -3.0361 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5674 -2.0893 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4370 -1.2802 2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2232 -0.9239 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5196 -2.3999 -2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -0.7802 -2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 0.1965 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 1.1701 1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0182 2.8252 -0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 3.1462 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9322 2.1001 2.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1503 3.0471 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2617 1.2754 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 0.2670 -1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 2.0354 -1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 0.9305 3.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6931 1.3916 3.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 -0.3184 3.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9554 3.7199 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2603 5.0014 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 4.7411 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7816 2.5736 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6777 0.4796 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2624 -0.1922 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2684 -0.5862 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7448 0.5505 -1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4903 -2.2187 1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4284 -3.1289 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1118 -3.6199 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8129 -2.3588 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8639 -0.7850 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0087 -2.3393 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5400 -2.8282 -2.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 -1.2135 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3794 -0.6360 2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -0.5324 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5018 -2.6450 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1106 -2.0659 2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2639 -1.7264 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9585 -2.3527 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -0.5332 2.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 -1.9981 -0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9468 1.3690 -1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 2.4729 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1954 0.9972 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1092 1.8158 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 2.7112 -2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3568 1.4443 -2.9233 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 2 4 2 3 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 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 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 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 27 29 1 0 0 0 0 27 30 1 6 0 0 0 23 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 1 0 0 0 37 39 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 0 0 0 0 8 42 1 0 0 0 0 42 43 1 1 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 45 5 1 0 0 0 0 41 7 1 0 0 0 0 39 10 1 0 0 0 0 37 13 1 0 0 0 0 41 39 1 0 0 0 0 34 15 1 0 0 0 0 32 17 2 0 0 0 0 31 19 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 3 49 1 0 0 0 0 3 50 1 0 0 0 0 3 51 1 0 0 0 0 4 52 1 0 0 0 0 5 53 1 6 0 0 0 7 54 1 6 0 0 0 8 55 1 1 0 0 0 10 56 1 1 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 16 64 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 18 67 1 0 0 0 0 20 68 1 0 0 0 0 21 69 1 0 0 0 0 22 70 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 25 73 1 6 0 0 0 26 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 30 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 84 1 6 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 38 89 1 0 0 0 0 41 90 1 6 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 M END 3D MOL for NP0019154 (Tolypocladin F)RDKit 3D 96103 0 0 0 0 0 0 0 0999 V2000 6.3103 -3.1626 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4332 -2.2708 0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6053 -2.1893 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3891 -1.5702 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2579 -1.5815 -1.5219 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0602 -1.9477 -0.9626 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1426 -0.9103 -1.1213 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8148 0.3337 -0.5651 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8525 1.3356 -0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9577 1.1516 0.5208 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0777 2.3581 0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7441 2.1496 1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0145 0.9474 0.6276 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1702 1.1551 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 0.7350 1.2259 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3292 0.6670 2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 1.6494 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 2.9040 0.4004 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9632 2.9924 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7509 4.0431 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1038 3.9249 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 2.6966 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9359 1.6288 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5888 0.3157 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3466 -0.5334 -0.9599 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9066 0.1412 -2.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9765 -1.8822 -0.8855 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4239 -2.7285 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4769 -1.8125 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7107 -2.5809 -2.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 1.7738 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 0.9181 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2697 -0.5003 1.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 -0.5870 0.6567 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0897 -1.7701 1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3327 -1.5689 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8901 -0.2461 0.9190 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0538 -0.2652 2.3254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -0.1397 0.3402 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0696 -1.2289 1.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 -1.1837 -0.3752 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9018 0.7083 -1.5488 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0257 1.3773 -0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3445 1.7210 -2.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 -0.4164 -2.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4638 -2.5594 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9934 -3.8213 0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 -3.8439 1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 -3.0361 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5674 -2.0893 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4370 -1.2802 2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2232 -0.9239 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5196 -2.3999 -2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -0.7802 -2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 0.1965 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 1.1701 1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0182 2.8252 -0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 3.1462 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9322 2.1001 2.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1503 3.0471 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2617 1.2754 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 0.2670 -1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 2.0354 -1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 0.9305 3.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6931 1.3916 3.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 -0.3184 3.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9554 3.7199 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2603 5.0014 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 4.7411 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7816 2.5736 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6777 0.4796 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2624 -0.1922 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2684 -0.5862 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7448 0.5505 -1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4903 -2.2187 1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4284 -3.1289 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1118 -3.6199 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8129 -2.3588 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8639 -0.7850 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0087 -2.3393 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5400 -2.8282 -2.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 -1.2135 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3794 -0.6360 2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -0.5324 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5018 -2.6450 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1106 -2.0659 2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2639 -1.7264 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9585 -2.3527 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -0.5332 2.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 -1.9981 -0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9468 1.3690 -1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 2.4729 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1954 0.9972 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1092 1.8158 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 2.7112 -2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3568 1.4443 -2.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 6 13 15 1 0 15 16 1 1 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 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 27 29 1 0 27 30 1 6 23 31 2 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 1 37 39 1 0 39 40 1 1 40 41 1 0 8 42 1 0 42 43 1 1 42 44 1 0 42 45 1 0 45 5 1 0 41 7 1 0 39 10 1 0 37 13 1 0 41 39 1 0 34 15 1 0 32 17 2 0 31 19 1 0 1 46 1 0 1 47 1 0 1 48 1 0 3 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 5 53 1 6 7 54 1 6 8 55 1 1 10 56 1 1 11 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 14 61 1 0 14 62 1 0 14 63 1 0 16 64 1 0 16 65 1 0 16 66 1 0 18 67 1 0 20 68 1 0 21 69 1 0 22 70 1 0 24 71 1 0 24 72 1 0 25 73 1 6 26 74 1 0 28 75 1 0 28 76 1 0 28 77 1 0 29 78 1 0 29 79 1 0 29 80 1 0 30 81 1 0 33 82 1 0 33 83 1 0 34 84 1 6 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 38 89 1 0 41 90 1 6 43 91 1 0 43 92 1 0 43 93 1 0 44 94 1 0 44 95 1 0 44 96 1 0 M END 3D SDF for NP0019154 (Tolypocladin F)Mrv1652307042107433D 96103 0 0 0 0 999 V2000 6.3103 -3.1626 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4332 -2.2708 0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6053 -2.1893 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3891 -1.5702 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2579 -1.5815 -1.5219 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0602 -1.9477 -0.9626 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1426 -0.9103 -1.1213 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8148 0.3337 -0.5651 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8525 1.3356 -0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9577 1.1516 0.5208 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0777 2.3581 0.5236 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7441 2.1496 1.1875 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0145 0.9474 0.6276 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1702 1.1551 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 0.7350 1.2259 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3292 0.6670 2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 1.6494 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 2.9040 0.4004 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9632 2.9924 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7509 4.0431 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1038 3.9249 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 2.6966 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9359 1.6288 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5888 0.3157 0.2675 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3466 -0.5334 -0.9599 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9066 0.1412 -2.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9765 -1.8822 -0.8855 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4239 -2.7285 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4769 -1.8125 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7107 -2.5809 -2.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 1.7738 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 0.9181 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2697 -0.5003 1.1575 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8516 -0.5870 0.6567 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0897 -1.7701 1.0678 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3327 -1.5689 0.5308 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8901 -0.2461 0.9190 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0538 -0.2652 2.3254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -0.1397 0.3402 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0696 -1.2289 1.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 -1.1837 -0.3752 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9018 0.7083 -1.5488 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0257 1.3773 -0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3445 1.7210 -2.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 -0.4164 -2.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4638 -2.5594 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9934 -3.8213 0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 -3.8439 1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 -3.0361 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5674 -2.0893 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4370 -1.2802 2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2232 -0.9239 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5196 -2.3999 -2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -0.7802 -2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 0.1965 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 1.1701 1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0182 2.8252 -0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 3.1462 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9322 2.1001 2.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1503 3.0471 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2617 1.2754 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 0.2670 -1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 2.0354 -1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 0.9305 3.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6931 1.3916 3.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 -0.3184 3.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9554 3.7199 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2603 5.0014 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 4.7411 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7816 2.5736 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6777 0.4796 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2624 -0.1922 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2684 -0.5862 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7448 0.5505 -1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4903 -2.2187 1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4284 -3.1289 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1118 -3.6199 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8129 -2.3588 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8639 -0.7850 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0087 -2.3393 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5400 -2.8282 -2.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 -1.2135 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3794 -0.6360 2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -0.5324 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5018 -2.6450 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1106 -2.0659 2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2639 -1.7264 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9585 -2.3527 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -0.5332 2.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 -1.9981 -0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9468 1.3690 -1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 2.4729 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1954 0.9972 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1092 1.8158 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 2.7112 -2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3568 1.4443 -2.9233 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 2 4 2 3 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 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 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 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 27 29 1 0 0 0 0 27 30 1 6 0 0 0 23 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 1 0 0 0 37 39 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 0 0 0 0 8 42 1 0 0 0 0 42 43 1 1 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 45 5 1 0 0 0 0 41 7 1 0 0 0 0 39 10 1 0 0 0 0 37 13 1 0 0 0 0 41 39 1 0 0 0 0 34 15 1 0 0 0 0 32 17 2 0 0 0 0 31 19 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 3 49 1 0 0 0 0 3 50 1 0 0 0 0 3 51 1 0 0 0 0 4 52 1 0 0 0 0 5 53 1 6 0 0 0 7 54 1 6 0 0 0 8 55 1 1 0 0 0 10 56 1 1 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 16 64 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 18 67 1 0 0 0 0 20 68 1 0 0 0 0 21 69 1 0 0 0 0 22 70 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 25 73 1 6 0 0 0 26 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 30 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 84 1 6 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 38 89 1 0 0 0 0 41 90 1 6 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 M END > <DATABASE_ID> NP0019154 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@@]([H])(C([H])([H])C1=C2C(N([H])C3=C2C([H])([H])[C@]2([H])C([H])([H])C([H])([H])[C@@]4(O[H])[C@@]56O[C@]5([H])[C@]5([H])O[C@@]([H])(OC(C([H])([H])[H])(C([H])([H])[H])[C@@]5([H])O[C@@]6([H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]32C([H])([H])[H])C([H])=C(C([H])([H])[H])C([H])([H])[H])=C([H])C([H])=C1[H])C(O[H])(C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C37H51NO7/c1-19(2)16-26-43-28-30(33(5,6)44-26)42-25-13-14-34(7)35(8)21(12-15-36(34,41)37(25)31(28)45-37)18-22-27-20(17-24(39)32(3,4)40)10-9-11-23(27)38-29(22)35/h9-11,16,21,24-26,28,30-31,38-41H,12-15,17-18H2,1-8H3/t21-,24-,25-,26-,28+,30-,31+,34+,35+,36-,37-/m0/s1 > <INCHI_KEY> ROKFXXIZDLLGMP-LDVZNYFHSA-N > <FORMULA> C37H51NO7 > <MOLECULAR_WEIGHT> 621.815 > <EXACT_MASS> 621.366552986 > <JCHEM_ACCEPTOR_COUNT> 7 > <JCHEM_ATOM_COUNT> 96 > <JCHEM_AVERAGE_POLARIZABILITY> 71.21127371682718 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 4 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2S)-1-[(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-16-hydroxy-1,2,24,24-tetramethyl-22-(2-methylprop-1-en-1-yl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.0^{2,13}.0^{3,11}.0^{5,10}.0^{17,19}.0^{17,27}.0^{20,25}]nonacosa-3(11),5,7,9-tetraen-9-yl]-3-methylbutane-2,3-diol > <ALOGPS_LOGP> 4.32 > <JCHEM_LOGP> 5.042782100666665 > <ALOGPS_LOGS> -5.65 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 8 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 13.83976101784732 > <JCHEM_PKA_STRONGEST_ACIDIC> 13.063333658380827 > <JCHEM_PKA_STRONGEST_BASIC> -3.0940084442737916 > <JCHEM_POLAR_SURFACE_AREA> 116.70000000000002 > <JCHEM_REFRACTIVITY> 170.18430000000004 > <JCHEM_ROTATABLE_BOND_COUNT> 4 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.41e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (2S)-1-[(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-16-hydroxy-1,2,24,24-tetramethyl-22-(2-methylprop-1-en-1-yl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.0^{2,13}.0^{3,11}.0^{5,10}.0^{17,19}.0^{17,27}.0^{20,25}]nonacosa-3(11),5,7,9-tetraen-9-yl]-3-methylbutane-2,3-diol > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0019154 (Tolypocladin F)RDKit 3D 96103 0 0 0 0 0 0 0 0999 V2000 6.3103 -3.1626 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4332 -2.2708 0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6053 -2.1893 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3891 -1.5702 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2579 -1.5815 -1.5219 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0602 -1.9477 -0.9626 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1426 -0.9103 -1.1213 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8148 0.3337 -0.5651 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8525 1.3356 -0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9577 1.1516 0.5208 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0777 2.3581 0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7441 2.1496 1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0145 0.9474 0.6276 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1702 1.1551 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 0.7350 1.2259 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3292 0.6670 2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 1.6494 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 2.9040 0.4004 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9632 2.9924 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7509 4.0431 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1038 3.9249 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 2.6966 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9359 1.6288 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5888 0.3157 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3466 -0.5334 -0.9599 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9066 0.1412 -2.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9765 -1.8822 -0.8855 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4239 -2.7285 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4769 -1.8125 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7107 -2.5809 -2.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 1.7738 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 0.9181 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2697 -0.5003 1.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 -0.5870 0.6567 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0897 -1.7701 1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3327 -1.5689 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8901 -0.2461 0.9190 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0538 -0.2652 2.3254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -0.1397 0.3402 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0696 -1.2289 1.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 -1.1837 -0.3752 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9018 0.7083 -1.5488 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0257 1.3773 -0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3445 1.7210 -2.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 -0.4164 -2.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4638 -2.5594 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9934 -3.8213 0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 -3.8439 1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 -3.0361 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5674 -2.0893 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4370 -1.2802 2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2232 -0.9239 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5196 -2.3999 -2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -0.7802 -2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 0.1965 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 1.1701 1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0182 2.8252 -0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 3.1462 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9322 2.1001 2.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1503 3.0471 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2617 1.2754 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 0.2670 -1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 2.0354 -1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 0.9305 3.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6931 1.3916 3.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 -0.3184 3.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9554 3.7199 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2603 5.0014 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 4.7411 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7816 2.5736 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6777 0.4796 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2624 -0.1922 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2684 -0.5862 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7448 0.5505 -1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4903 -2.2187 1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4284 -3.1289 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1118 -3.6199 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8129 -2.3588 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8639 -0.7850 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0087 -2.3393 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5400 -2.8282 -2.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8703 -1.2135 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3794 -0.6360 2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -0.5324 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5018 -2.6450 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1106 -2.0659 2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2639 -1.7264 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9585 -2.3527 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -0.5332 2.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 -1.9981 -0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9468 1.3690 -1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 2.4729 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1954 0.9972 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1092 1.8158 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 2.7112 -2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3568 1.4443 -2.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 6 13 15 1 0 15 16 1 1 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 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 27 29 1 0 27 30 1 6 23 31 2 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 1 37 39 1 0 39 40 1 1 40 41 1 0 8 42 1 0 42 43 1 1 42 44 1 0 42 45 1 0 45 5 1 0 41 7 1 0 39 10 1 0 37 13 1 0 41 39 1 0 34 15 1 0 32 17 2 0 31 19 1 0 1 46 1 0 1 47 1 0 1 48 1 0 3 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 5 53 1 6 7 54 1 6 8 55 1 1 10 56 1 1 11 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 14 61 1 0 14 62 1 0 14 63 1 0 16 64 1 0 16 65 1 0 16 66 1 0 18 67 1 0 20 68 1 0 21 69 1 0 22 70 1 0 24 71 1 0 24 72 1 0 25 73 1 6 26 74 1 0 28 75 1 0 28 76 1 0 28 77 1 0 29 78 1 0 29 79 1 0 29 80 1 0 30 81 1 0 33 82 1 0 33 83 1 0 34 84 1 6 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 38 89 1 0 41 90 1 6 43 91 1 0 43 92 1 0 43 93 1 0 44 94 1 0 44 95 1 0 44 96 1 0 M END PDB for NP0019154 (Tolypocladin F)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 6.310 -3.163 0.912 0.00 0.00 C+0 HETATM 2 C UNK 0 7.433 -2.271 0.544 0.00 0.00 C+0 HETATM 3 C UNK 0 8.605 -2.189 1.443 0.00 0.00 C+0 HETATM 4 C UNK 0 7.389 -1.570 -0.553 0.00 0.00 C+0 HETATM 5 C UNK 0 6.258 -1.581 -1.522 0.00 0.00 C+0 HETATM 6 O UNK 0 5.060 -1.948 -0.963 0.00 0.00 O+0 HETATM 7 C UNK 0 4.143 -0.910 -1.121 0.00 0.00 C+0 HETATM 8 C UNK 0 4.815 0.334 -0.565 0.00 0.00 C+0 HETATM 9 O UNK 0 3.853 1.336 -0.562 0.00 0.00 O+0 HETATM 10 C UNK 0 2.958 1.152 0.521 0.00 0.00 C+0 HETATM 11 C UNK 0 2.078 2.358 0.524 0.00 0.00 C+0 HETATM 12 C UNK 0 0.744 2.150 1.188 0.00 0.00 C+0 HETATM 13 C UNK 0 0.015 0.947 0.628 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.170 1.155 -0.862 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.322 0.735 1.226 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.329 0.667 2.732 0.00 0.00 C+0 HETATM 17 C UNK 0 -2.396 1.649 0.772 0.00 0.00 C+0 HETATM 18 N UNK 0 -2.653 2.904 0.400 0.00 0.00 N+0 HETATM 19 C UNK 0 -3.963 2.992 0.123 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.751 4.043 -0.288 0.00 0.00 C+0 HETATM 21 C UNK 0 -6.104 3.925 -0.510 0.00 0.00 C+0 HETATM 22 C UNK 0 -6.699 2.697 -0.312 0.00 0.00 C+0 HETATM 23 C UNK 0 -5.936 1.629 0.098 0.00 0.00 C+0 HETATM 24 C UNK 0 -6.589 0.316 0.268 0.00 0.00 C+0 HETATM 25 C UNK 0 -6.347 -0.533 -0.960 0.00 0.00 C+0 HETATM 26 O UNK 0 -6.907 0.141 -2.074 0.00 0.00 O+0 HETATM 27 C UNK 0 -6.976 -1.882 -0.886 0.00 0.00 C+0 HETATM 28 C UNK 0 -6.424 -2.728 0.240 0.00 0.00 C+0 HETATM 29 C UNK 0 -8.477 -1.813 -0.728 0.00 0.00 C+0 HETATM 30 O UNK 0 -6.711 -2.581 -2.068 0.00 0.00 O+0 HETATM 31 C UNK 0 -4.566 1.774 0.318 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.567 0.918 0.732 0.00 0.00 C+0 HETATM 33 C UNK 0 -3.270 -0.500 1.157 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.852 -0.587 0.657 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.090 -1.770 1.068 0.00 0.00 C+0 HETATM 36 C UNK 0 0.333 -1.569 0.531 0.00 0.00 C+0 HETATM 37 C UNK 0 0.890 -0.246 0.919 0.00 0.00 C+0 HETATM 38 O UNK 0 1.054 -0.265 2.325 0.00 0.00 O+0 HETATM 39 C UNK 0 2.272 -0.140 0.340 0.00 0.00 C+0 HETATM 40 O UNK 0 3.070 -1.229 1.018 0.00 0.00 O+0 HETATM 41 C UNK 0 2.856 -1.184 -0.375 0.00 0.00 C+0 HETATM 42 C UNK 0 5.902 0.708 -1.549 0.00 0.00 C+0 HETATM 43 C UNK 0 7.026 1.377 -0.833 0.00 0.00 C+0 HETATM 44 C UNK 0 5.345 1.721 -2.557 0.00 0.00 C+0 HETATM 45 O UNK 0 6.234 -0.416 -2.252 0.00 0.00 O+0 HETATM 46 H UNK 0 5.464 -2.559 1.253 0.00 0.00 H+0 HETATM 47 H UNK 0 5.993 -3.821 0.070 0.00 0.00 H+0 HETATM 48 H UNK 0 6.571 -3.844 1.749 0.00 0.00 H+0 HETATM 49 H UNK 0 8.663 -3.036 2.155 0.00 0.00 H+0 HETATM 50 H UNK 0 9.567 -2.089 0.913 0.00 0.00 H+0 HETATM 51 H UNK 0 8.437 -1.280 2.091 0.00 0.00 H+0 HETATM 52 H UNK 0 8.223 -0.924 -0.804 0.00 0.00 H+0 HETATM 53 H UNK 0 6.520 -2.400 -2.259 0.00 0.00 H+0 HETATM 54 H UNK 0 3.986 -0.780 -2.210 0.00 0.00 H+0 HETATM 55 H UNK 0 5.175 0.197 0.453 0.00 0.00 H+0 HETATM 56 H UNK 0 3.633 1.170 1.427 0.00 0.00 H+0 HETATM 57 H UNK 0 2.018 2.825 -0.481 0.00 0.00 H+0 HETATM 58 H UNK 0 2.599 3.146 1.149 0.00 0.00 H+0 HETATM 59 H UNK 0 0.932 2.100 2.261 0.00 0.00 H+0 HETATM 60 H UNK 0 0.150 3.047 0.967 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.262 1.275 -1.130 0.00 0.00 H+0 HETATM 62 H UNK 0 0.211 0.267 -1.441 0.00 0.00 H+0 HETATM 63 H UNK 0 0.323 2.035 -1.265 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.381 0.931 3.055 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.693 1.392 3.232 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.132 -0.318 3.148 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.955 3.720 0.326 0.00 0.00 H+0 HETATM 68 H UNK 0 -4.260 5.001 -0.438 0.00 0.00 H+0 HETATM 69 H UNK 0 -6.732 4.741 -0.833 0.00 0.00 H+0 HETATM 70 H UNK 0 -7.782 2.574 -0.483 0.00 0.00 H+0 HETATM 71 H UNK 0 -7.678 0.480 0.381 0.00 0.00 H+0 HETATM 72 H UNK 0 -6.262 -0.192 1.196 0.00 0.00 H+0 HETATM 73 H UNK 0 -5.268 -0.586 -1.195 0.00 0.00 H+0 HETATM 74 H UNK 0 -7.745 0.551 -1.772 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.490 -2.219 1.218 0.00 0.00 H+0 HETATM 76 H UNK 0 -5.428 -3.129 0.014 0.00 0.00 H+0 HETATM 77 H UNK 0 -7.112 -3.620 0.327 0.00 0.00 H+0 HETATM 78 H UNK 0 -8.813 -2.359 0.191 0.00 0.00 H+0 HETATM 79 H UNK 0 -8.864 -0.785 -0.713 0.00 0.00 H+0 HETATM 80 H UNK 0 -9.009 -2.339 -1.570 0.00 0.00 H+0 HETATM 81 H UNK 0 -7.540 -2.828 -2.547 0.00 0.00 H+0 HETATM 82 H UNK 0 -3.870 -1.214 0.571 0.00 0.00 H+0 HETATM 83 H UNK 0 -3.379 -0.636 2.236 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.890 -0.532 -0.441 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.502 -2.645 0.490 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.111 -2.066 2.111 0.00 0.00 H+0 HETATM 87 H UNK 0 0.264 -1.726 -0.560 0.00 0.00 H+0 HETATM 88 H UNK 0 0.959 -2.353 0.988 0.00 0.00 H+0 HETATM 89 H UNK 0 1.966 -0.533 2.571 0.00 0.00 H+0 HETATM 90 H UNK 0 2.266 -1.998 -0.822 0.00 0.00 H+0 HETATM 91 H UNK 0 7.947 1.369 -1.452 0.00 0.00 H+0 HETATM 92 H UNK 0 6.789 2.473 -0.690 0.00 0.00 H+0 HETATM 93 H UNK 0 7.195 0.997 0.200 0.00 0.00 H+0 HETATM 94 H UNK 0 6.109 1.816 -3.355 0.00 0.00 H+0 HETATM 95 H UNK 0 5.298 2.711 -2.054 0.00 0.00 H+0 HETATM 96 H UNK 0 4.357 1.444 -2.923 0.00 0.00 H+0 CONECT 1 2 46 47 48 CONECT 2 1 3 4 CONECT 3 2 49 50 51 CONECT 4 2 5 52 CONECT 5 4 6 45 53 CONECT 6 5 7 CONECT 7 6 8 41 54 CONECT 8 7 9 42 55 CONECT 9 8 10 CONECT 10 9 11 39 56 CONECT 11 10 12 57 58 CONECT 12 11 13 59 60 CONECT 13 12 14 15 37 CONECT 14 13 61 62 63 CONECT 15 13 16 17 34 CONECT 16 15 64 65 66 CONECT 17 15 18 32 CONECT 18 17 19 67 CONECT 19 18 20 31 CONECT 20 19 21 68 CONECT 21 20 22 69 CONECT 22 21 23 70 CONECT 23 22 24 31 CONECT 24 23 25 71 72 CONECT 25 24 26 27 73 CONECT 26 25 74 CONECT 27 25 28 29 30 CONECT 28 27 75 76 77 CONECT 29 27 78 79 80 CONECT 30 27 81 CONECT 31 23 32 19 CONECT 32 31 33 17 CONECT 33 32 34 82 83 CONECT 34 33 35 15 84 CONECT 35 34 36 85 86 CONECT 36 35 37 87 88 CONECT 37 36 38 39 13 CONECT 38 37 89 CONECT 39 37 40 10 41 CONECT 40 39 41 CONECT 41 40 7 39 90 CONECT 42 8 43 44 45 CONECT 43 42 91 92 93 CONECT 44 42 94 95 96 CONECT 45 42 5 CONECT 46 1 CONECT 47 1 CONECT 48 1 CONECT 49 3 CONECT 50 3 CONECT 51 3 CONECT 52 4 CONECT 53 5 CONECT 54 7 CONECT 55 8 CONECT 56 10 CONECT 57 11 CONECT 58 11 CONECT 59 12 CONECT 60 12 CONECT 61 14 CONECT 62 14 CONECT 63 14 CONECT 64 16 CONECT 65 16 CONECT 66 16 CONECT 67 18 CONECT 68 20 CONECT 69 21 CONECT 70 22 CONECT 71 24 CONECT 72 24 CONECT 73 25 CONECT 74 26 CONECT 75 28 CONECT 76 28 CONECT 77 28 CONECT 78 29 CONECT 79 29 CONECT 80 29 CONECT 81 30 CONECT 82 33 CONECT 83 33 CONECT 84 34 CONECT 85 35 CONECT 86 35 CONECT 87 36 CONECT 88 36 CONECT 89 38 CONECT 90 41 CONECT 91 43 CONECT 92 43 CONECT 93 43 CONECT 94 44 CONECT 95 44 CONECT 96 44 MASTER 0 0 0 0 0 0 0 0 96 0 206 0 END SMILES for NP0019154 (Tolypocladin F)[H]O[C@@]([H])(C([H])([H])C1=C2C(N([H])C3=C2C([H])([H])[C@]2([H])C([H])([H])C([H])([H])[C@@]4(O[H])[C@@]56O[C@]5([H])[C@]5([H])O[C@@]([H])(OC(C([H])([H])[H])(C([H])([H])[H])[C@@]5([H])O[C@@]6([H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]32C([H])([H])[H])C([H])=C(C([H])([H])[H])C([H])([H])[H])=C([H])C([H])=C1[H])C(O[H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0019154 (Tolypocladin F)InChI=1S/C37H51NO7/c1-19(2)16-26-43-28-30(33(5,6)44-26)42-25-13-14-34(7)35(8)21(12-15-36(34,41)37(25)31(28)45-37)18-22-27-20(17-24(39)32(3,4)40)10-9-11-23(27)38-29(22)35/h9-11,16,21,24-26,28,30-31,38-41H,12-15,17-18H2,1-8H3/t21-,24-,25-,26-,28+,30-,31+,34+,35+,36-,37-/m0/s1 3D Structure for NP0019154 (Tolypocladin F) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C37H51NO7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 621.8150 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 621.36655 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2S)-1-[(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-16-hydroxy-1,2,24,24-tetramethyl-22-(2-methylprop-1-en-1-yl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.0^{2,13}.0^{3,11}.0^{5,10}.0^{17,19}.0^{17,27}.0^{20,25}]nonacosa-3(11),5,7,9-tetraen-9-yl]-3-methylbutane-2,3-diol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2S)-1-[(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-16-hydroxy-1,2,24,24-tetramethyl-22-(2-methylprop-1-en-1-yl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.0^{2,13}.0^{3,11}.0^{5,10}.0^{17,19}.0^{17,27}.0^{20,25}]nonacosa-3(11),5,7,9-tetraen-9-yl]-3-methylbutane-2,3-diol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)=C[C@H]1O[C@H]2[C@H]3O[C@@]33[C@H](CC[C@]4(C)[C@]5(C)[C@H](CC6=C5NC5=CC=CC(C[C@H](O)C(C)(C)O)=C65)CC[C@@]34O)O[C@@H]2C(C)(C)O1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C37H51NO7/c1-19(2)16-26-43-28-30(33(5,6)44-26)42-25-13-14-34(7)35(8)21(12-15-36(34,41)37(25)31(28)45-37)18-22-27-20(17-24(39)32(3,4)40)10-9-11-23(27)38-29(22)35/h9-11,16,21,24-26,28,30-31,38-41H,12-15,17-18H2,1-8H3/t21-,24-,25-,26-,28+,30-,31+,34+,35+,36-,37-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | ROKFXXIZDLLGMP-LDVZNYFHSA-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 | NPA025020 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 145720794 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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