Showing NP-Card for Hericene D (NP0009494)
Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 06:51:59 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:03:25 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0009494 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Hericene D | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Hericene D is found in Hericium, Hericium erinaceum strain CBS 233.87 and Hericium erinaceus. It was first documented in 2010 (PMID: 20924382). Based on a literature review very few articles have been published on [4-(3,7-dimethylocta-2,6-dien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (9Z)-octadec-9-enoate (PMID: 31555775). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0009494 (Hericene D)Mrv1652307012120323D 100100 0 0 0 0 999 V2000 12.0677 0.8971 4.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6311 1.3369 2.7307 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5872 0.2143 1.7391 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1438 0.7282 0.4053 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7725 1.3520 0.4390 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7227 0.3487 0.9004 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3527 0.9371 0.9342 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8915 1.4318 -0.4241 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8579 0.3769 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 0.0176 -2.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 0.6181 -1.8544 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8942 1.2289 -3.1341 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5450 1.8276 -2.8776 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5667 0.7874 -2.3903 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1928 1.3750 -2.1739 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7318 0.3108 -1.6768 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8631 -0.8503 -2.6030 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7982 -1.8950 -2.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9813 -1.8263 -2.6145 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -2.8918 -1.2431 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -3.8462 -0.8236 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5708 -3.3167 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 -1.9775 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7823 -1.5627 0.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9083 -0.1979 1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 0.7243 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7947 -2.4433 1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9135 -1.9030 2.1305 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9778 -1.1660 1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1656 -0.8683 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2698 -1.2532 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3695 -0.0544 -0.1125 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1112 1.1850 -0.8390 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3941 2.3168 -0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9764 2.7028 0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2105 4.0434 0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1615 2.0543 2.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6668 -3.7801 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 -4.7194 1.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5582 -4.2087 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4026 -5.6313 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2707 -6.4633 0.3559 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9921 -0.2032 4.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1130 1.2495 4.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4155 1.3568 4.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6079 1.7985 2.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3049 2.1213 2.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9665 -0.6439 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6315 -0.1606 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0928 -0.1215 -0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8533 1.5099 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5202 1.6037 -0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7382 2.2753 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0004 0.0779 1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7853 -0.5861 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.8297 1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6392 0.2398 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9088 1.8838 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5807 2.2623 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7617 -0.1903 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 -0.8065 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2802 1.2291 -0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 -0.2823 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 0.4083 -3.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6046 1.9230 -3.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 2.5893 -2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 2.3889 -3.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 0.4263 -1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6069 -0.0580 -3.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 2.1319 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1908 1.8887 -3.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7457 0.7936 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4363 0.0206 -0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1378 -1.3616 -2.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1546 -0.4691 -3.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8864 -4.5401 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 -4.4869 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9054 -1.2401 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7633 0.6224 -0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 0.5650 1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2232 1.7629 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3181 -2.7897 2.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4233 -1.3058 2.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7790 -0.8015 2.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8856 -1.1927 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9213 -2.2797 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5015 -0.4669 -0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9091 -0.7543 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0959 -0.0099 0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7182 0.8555 -1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1536 1.5588 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1269 3.0589 -1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4978 4.0138 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9969 4.8040 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6834 4.2008 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1845 2.8597 2.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1190 1.5252 2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2744 1.4455 2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4339 -4.5463 1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 -5.9433 -0.5439 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 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 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 24 27 2 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 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 3 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 27 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 40 22 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 2 46 1 0 0 0 0 2 47 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 5 52 1 0 0 0 0 5 53 1 0 0 0 0 6 54 1 0 0 0 0 6 55 1 0 0 0 0 7 56 1 0 0 0 0 7 57 1 0 0 0 0 8 58 1 0 0 0 0 8 59 1 0 0 0 0 9 60 1 0 0 0 0 10 61 1 0 0 0 0 11 62 1 0 0 0 0 11 63 1 0 0 0 0 12 64 1 0 0 0 0 12 65 1 0 0 0 0 13 66 1 0 0 0 0 13 67 1 0 0 0 0 14 68 1 0 0 0 0 14 69 1 0 0 0 0 15 70 1 0 0 0 0 15 71 1 0 0 0 0 16 72 1 0 0 0 0 16 73 1 0 0 0 0 17 74 1 0 0 0 0 17 75 1 0 0 0 0 21 76 1 0 0 0 0 21 77 1 0 0 0 0 23 78 1 0 0 0 0 26 79 1 0 0 0 0 26 80 1 0 0 0 0 26 81 1 0 0 0 0 28 82 1 0 0 0 0 28 83 1 0 0 0 0 29 84 1 0 0 0 0 31 85 1 0 0 0 0 31 86 1 0 0 0 0 31 87 1 0 0 0 0 32 88 1 0 0 0 0 32 89 1 0 0 0 0 33 90 1 0 0 0 0 33 91 1 0 0 0 0 34 92 1 0 0 0 0 36 93 1 0 0 0 0 36 94 1 0 0 0 0 36 95 1 0 0 0 0 37 96 1 0 0 0 0 37 97 1 0 0 0 0 37 98 1 0 0 0 0 39 99 1 0 0 0 0 41100 1 0 0 0 0 M END 3D MOL for NP0009494 (Hericene D)RDKit 3D 100100 0 0 0 0 0 0 0 0999 V2000 12.0677 0.8971 4.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6311 1.3369 2.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5872 0.2143 1.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1438 0.7282 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7725 1.3520 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7227 0.3487 0.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3527 0.9371 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8915 1.4318 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8579 0.3769 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 0.0176 -2.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 0.6181 -1.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 1.2289 -3.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 1.8276 -2.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.7874 -2.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 1.3750 -2.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7318 0.3108 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8631 -0.8503 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 -1.8950 -2.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9813 -1.8263 -2.6145 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -2.8918 -1.2431 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -3.8462 -0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -3.3167 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 -1.9775 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7823 -1.5627 0.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9083 -0.1979 1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 0.7243 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7947 -2.4433 1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9135 -1.9030 2.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9778 -1.1660 1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1656 -0.8683 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2698 -1.2532 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3695 -0.0544 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1112 1.1850 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3941 2.3168 -0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9764 2.7028 0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2105 4.0434 0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1615 2.0543 2.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6668 -3.7801 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 -4.7194 1.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5582 -4.2087 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4026 -5.6313 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2707 -6.4633 0.3559 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9921 -0.2032 4.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1130 1.2495 4.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4155 1.3568 4.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6079 1.7985 2.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3049 2.1213 2.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9665 -0.6439 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6315 -0.1606 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0928 -0.1215 -0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8533 1.5099 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5202 1.6037 -0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7382 2.2753 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0004 0.0779 1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7853 -0.5861 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.8297 1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6392 0.2398 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9088 1.8838 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5807 2.2623 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7617 -0.1903 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 -0.8065 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2802 1.2291 -0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 -0.2823 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 0.4083 -3.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6046 1.9230 -3.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 2.5893 -2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 2.3889 -3.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 0.4263 -1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6069 -0.0580 -3.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 2.1319 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1908 1.8887 -3.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7457 0.7936 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4363 0.0206 -0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1378 -1.3616 -2.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1546 -0.4691 -3.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8864 -4.5401 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 -4.4869 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9054 -1.2401 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7633 0.6224 -0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 0.5650 1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2232 1.7629 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3181 -2.7897 2.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4233 -1.3058 2.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7790 -0.8015 2.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8856 -1.1927 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9213 -2.2797 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5015 -0.4669 -0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9091 -0.7543 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0959 -0.0099 0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7182 0.8555 -1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1536 1.5588 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1269 3.0589 -1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4978 4.0138 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9969 4.8040 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6834 4.2008 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1845 2.8597 2.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1190 1.5252 2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2744 1.4455 2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4339 -4.5463 1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 -5.9433 -0.5439 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 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 2 3 35 36 1 0 35 37 1 0 27 38 1 0 38 39 1 0 38 40 2 0 40 41 1 0 41 42 2 0 40 22 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 21 76 1 0 21 77 1 0 23 78 1 0 26 79 1 0 26 80 1 0 26 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 31 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 36 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 37 98 1 0 39 99 1 0 41100 1 0 M END 3D SDF for NP0009494 (Hericene D)Mrv1652307012120323D 100100 0 0 0 0 999 V2000 12.0677 0.8971 4.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6311 1.3369 2.7307 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5872 0.2143 1.7391 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1438 0.7282 0.4053 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7725 1.3520 0.4390 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7227 0.3487 0.9004 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3527 0.9371 0.9342 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8915 1.4318 -0.4241 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8579 0.3769 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 0.0176 -2.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 0.6181 -1.8544 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8942 1.2289 -3.1341 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5450 1.8276 -2.8776 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5667 0.7874 -2.3903 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1928 1.3750 -2.1739 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7318 0.3108 -1.6768 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8631 -0.8503 -2.6030 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7982 -1.8950 -2.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9813 -1.8263 -2.6145 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -2.8918 -1.2431 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -3.8462 -0.8236 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5708 -3.3167 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 -1.9775 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7823 -1.5627 0.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9083 -0.1979 1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 0.7243 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7947 -2.4433 1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9135 -1.9030 2.1305 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9778 -1.1660 1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1656 -0.8683 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2698 -1.2532 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3695 -0.0544 -0.1125 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1112 1.1850 -0.8390 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3941 2.3168 -0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9764 2.7028 0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2105 4.0434 0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1615 2.0543 2.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6668 -3.7801 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 -4.7194 1.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5582 -4.2087 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4026 -5.6313 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2707 -6.4633 0.3559 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9921 -0.2032 4.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1130 1.2495 4.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4155 1.3568 4.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6079 1.7985 2.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3049 2.1213 2.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9665 -0.6439 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6315 -0.1606 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0928 -0.1215 -0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8533 1.5099 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5202 1.6037 -0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7382 2.2753 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0004 0.0779 1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7853 -0.5861 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.8297 1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6392 0.2398 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9088 1.8838 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5807 2.2623 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7617 -0.1903 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 -0.8065 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2802 1.2291 -0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 -0.2823 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 0.4083 -3.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6046 1.9230 -3.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 2.5893 -2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 2.3889 -3.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 0.4263 -1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6069 -0.0580 -3.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 2.1319 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1908 1.8887 -3.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7457 0.7936 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4363 0.0206 -0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1378 -1.3616 -2.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1546 -0.4691 -3.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8864 -4.5401 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 -4.4869 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9054 -1.2401 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7633 0.6224 -0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 0.5650 1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2232 1.7629 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3181 -2.7897 2.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4233 -1.3058 2.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7790 -0.8015 2.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8856 -1.1927 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9213 -2.2797 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5015 -0.4669 -0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9091 -0.7543 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0959 -0.0099 0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7182 0.8555 -1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1536 1.5588 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1269 3.0589 -1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4978 4.0138 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9969 4.8040 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6834 4.2008 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1845 2.8597 2.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1190 1.5252 2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2744 1.4455 2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4339 -4.5463 1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 -5.9433 -0.5439 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 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 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 24 27 2 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 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 3 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 27 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 40 22 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 2 46 1 0 0 0 0 2 47 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 5 52 1 0 0 0 0 5 53 1 0 0 0 0 6 54 1 0 0 0 0 6 55 1 0 0 0 0 7 56 1 0 0 0 0 7 57 1 0 0 0 0 8 58 1 0 0 0 0 8 59 1 0 0 0 0 9 60 1 0 0 0 0 10 61 1 0 0 0 0 11 62 1 0 0 0 0 11 63 1 0 0 0 0 12 64 1 0 0 0 0 12 65 1 0 0 0 0 13 66 1 0 0 0 0 13 67 1 0 0 0 0 14 68 1 0 0 0 0 14 69 1 0 0 0 0 15 70 1 0 0 0 0 15 71 1 0 0 0 0 16 72 1 0 0 0 0 16 73 1 0 0 0 0 17 74 1 0 0 0 0 17 75 1 0 0 0 0 21 76 1 0 0 0 0 21 77 1 0 0 0 0 23 78 1 0 0 0 0 26 79 1 0 0 0 0 26 80 1 0 0 0 0 26 81 1 0 0 0 0 28 82 1 0 0 0 0 28 83 1 0 0 0 0 29 84 1 0 0 0 0 31 85 1 0 0 0 0 31 86 1 0 0 0 0 31 87 1 0 0 0 0 32 88 1 0 0 0 0 32 89 1 0 0 0 0 33 90 1 0 0 0 0 33 91 1 0 0 0 0 34 92 1 0 0 0 0 36 93 1 0 0 0 0 36 94 1 0 0 0 0 36 95 1 0 0 0 0 37 96 1 0 0 0 0 37 97 1 0 0 0 0 37 98 1 0 0 0 0 39 99 1 0 0 0 0 41100 1 0 0 0 0 M END > <DATABASE_ID> NP0009494 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC1=C(C([H])=O)C(=C([H])C(OC([H])([H])[H])=C1C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3/b14-13-,31-25+ > <INCHI_KEY> UJSYMVCGDZCLIO-LTBKHPPLSA-N > <FORMULA> C37H58O5 > <MOLECULAR_WEIGHT> 582.866 > <EXACT_MASS> 582.428424968 > <JCHEM_ACCEPTOR_COUNT> 4 > <JCHEM_ATOM_COUNT> 100 > <JCHEM_AVERAGE_POLARIZABILITY> 71.48328339337294 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> {4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl (9Z)-octadec-9-enoate > <ALOGPS_LOGP> 9.22 > <JCHEM_LOGP> 11.943712656000002 > <ALOGPS_LOGS> -6.77 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 7.996504213293163 > <JCHEM_PKA_STRONGEST_BASIC> -4.855849350219051 > <JCHEM_POLAR_SURFACE_AREA> 72.83000000000001 > <JCHEM_REFRACTIVITY> 179.85740000000004 > <JCHEM_ROTATABLE_BOND_COUNT> 25 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 9.99e-05 g/l > <JCHEM_TRADITIONAL_IUPAC> {4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl (9Z)-octadec-9-enoate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0009494 (Hericene D)RDKit 3D 100100 0 0 0 0 0 0 0 0999 V2000 12.0677 0.8971 4.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6311 1.3369 2.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5872 0.2143 1.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1438 0.7282 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7725 1.3520 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7227 0.3487 0.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3527 0.9371 0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8915 1.4318 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8579 0.3769 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 0.0176 -2.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 0.6181 -1.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 1.2289 -3.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 1.8276 -2.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.7874 -2.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 1.3750 -2.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7318 0.3108 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8631 -0.8503 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 -1.8950 -2.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9813 -1.8263 -2.6145 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -2.8918 -1.2431 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -3.8462 -0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -3.3167 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 -1.9775 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7823 -1.5627 0.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9083 -0.1979 1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 0.7243 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7947 -2.4433 1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9135 -1.9030 2.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9778 -1.1660 1.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1656 -0.8683 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2698 -1.2532 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3695 -0.0544 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1112 1.1850 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3941 2.3168 -0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9764 2.7028 0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2105 4.0434 0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1615 2.0543 2.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6668 -3.7801 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 -4.7194 1.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5582 -4.2087 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4026 -5.6313 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2707 -6.4633 0.3559 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9921 -0.2032 4.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1130 1.2495 4.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4155 1.3568 4.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6079 1.7985 2.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3049 2.1213 2.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9665 -0.6439 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6315 -0.1606 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0928 -0.1215 -0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8533 1.5099 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5202 1.6037 -0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7382 2.2753 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0004 0.0779 1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7853 -0.5861 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.8297 1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6392 0.2398 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9088 1.8838 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5807 2.2623 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7617 -0.1903 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 -0.8065 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2802 1.2291 -0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 -0.2823 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 0.4083 -3.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6046 1.9230 -3.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 2.5893 -2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 2.3889 -3.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 0.4263 -1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6069 -0.0580 -3.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 2.1319 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1908 1.8887 -3.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7457 0.7936 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4363 0.0206 -0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1378 -1.3616 -2.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1546 -0.4691 -3.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8864 -4.5401 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 -4.4869 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9054 -1.2401 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7633 0.6224 -0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 0.5650 1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2232 1.7629 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3181 -2.7897 2.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4233 -1.3058 2.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7790 -0.8015 2.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8856 -1.1927 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9213 -2.2797 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5015 -0.4669 -0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9091 -0.7543 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0959 -0.0099 0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7182 0.8555 -1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1536 1.5588 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1269 3.0589 -1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4978 4.0138 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9969 4.8040 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6834 4.2008 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1845 2.8597 2.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1190 1.5252 2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2744 1.4455 2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4339 -4.5463 1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 -5.9433 -0.5439 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 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 2 3 35 36 1 0 35 37 1 0 27 38 1 0 38 39 1 0 38 40 2 0 40 41 1 0 41 42 2 0 40 22 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 21 76 1 0 21 77 1 0 23 78 1 0 26 79 1 0 26 80 1 0 26 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 31 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 36 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 37 98 1 0 39 99 1 0 41100 1 0 M END PDB for NP0009494 (Hericene D)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 12.068 0.897 4.101 0.00 0.00 C+0 HETATM 2 C UNK 0 11.631 1.337 2.731 0.00 0.00 C+0 HETATM 3 C UNK 0 11.587 0.214 1.739 0.00 0.00 C+0 HETATM 4 C UNK 0 11.144 0.728 0.405 0.00 0.00 C+0 HETATM 5 C UNK 0 9.773 1.352 0.439 0.00 0.00 C+0 HETATM 6 C UNK 0 8.723 0.349 0.900 0.00 0.00 C+0 HETATM 7 C UNK 0 7.353 0.937 0.934 0.00 0.00 C+0 HETATM 8 C UNK 0 6.891 1.432 -0.424 0.00 0.00 C+0 HETATM 9 C UNK 0 6.858 0.377 -1.429 0.00 0.00 C+0 HETATM 10 C UNK 0 5.765 0.018 -2.061 0.00 0.00 C+0 HETATM 11 C UNK 0 4.423 0.618 -1.854 0.00 0.00 C+0 HETATM 12 C UNK 0 3.894 1.229 -3.134 0.00 0.00 C+0 HETATM 13 C UNK 0 2.545 1.828 -2.878 0.00 0.00 C+0 HETATM 14 C UNK 0 1.567 0.787 -2.390 0.00 0.00 C+0 HETATM 15 C UNK 0 0.193 1.375 -2.174 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.732 0.311 -1.677 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.863 -0.850 -2.603 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.798 -1.895 -2.128 0.00 0.00 C+0 HETATM 19 O UNK 0 -2.981 -1.826 -2.615 0.00 0.00 O+0 HETATM 20 O UNK 0 -1.505 -2.892 -1.243 0.00 0.00 O+0 HETATM 21 C UNK 0 -2.414 -3.846 -0.824 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.571 -3.317 -0.077 0.00 0.00 C+0 HETATM 23 C UNK 0 -3.681 -1.978 0.225 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.782 -1.563 0.929 0.00 0.00 C+0 HETATM 25 O UNK 0 -4.908 -0.198 1.244 0.00 0.00 O+0 HETATM 26 C UNK 0 -3.916 0.724 0.843 0.00 0.00 C+0 HETATM 27 C UNK 0 -5.795 -2.443 1.350 0.00 0.00 C+0 HETATM 28 C UNK 0 -6.914 -1.903 2.131 0.00 0.00 C+0 HETATM 29 C UNK 0 -7.978 -1.166 1.514 0.00 0.00 C+0 HETATM 30 C UNK 0 -8.166 -0.868 0.274 0.00 0.00 C+0 HETATM 31 C UNK 0 -7.270 -1.253 -0.818 0.00 0.00 C+0 HETATM 32 C UNK 0 -9.370 -0.054 -0.113 0.00 0.00 C+0 HETATM 33 C UNK 0 -9.111 1.185 -0.839 0.00 0.00 C+0 HETATM 34 C UNK 0 -8.394 2.317 -0.363 0.00 0.00 C+0 HETATM 35 C UNK 0 -7.976 2.703 0.789 0.00 0.00 C+0 HETATM 36 C UNK 0 -7.210 4.043 0.841 0.00 0.00 C+0 HETATM 37 C UNK 0 -8.162 2.054 2.107 0.00 0.00 C+0 HETATM 38 C UNK 0 -5.667 -3.780 1.040 0.00 0.00 C+0 HETATM 39 O UNK 0 -6.596 -4.719 1.403 0.00 0.00 O+0 HETATM 40 C UNK 0 -4.558 -4.209 0.330 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.403 -5.631 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 -5.271 -6.463 0.356 0.00 0.00 O+0 HETATM 43 H UNK 0 11.992 -0.203 4.155 0.00 0.00 H+0 HETATM 44 H UNK 0 13.113 1.250 4.252 0.00 0.00 H+0 HETATM 45 H UNK 0 11.415 1.357 4.900 0.00 0.00 H+0 HETATM 46 H UNK 0 10.608 1.799 2.805 0.00 0.00 H+0 HETATM 47 H UNK 0 12.305 2.121 2.340 0.00 0.00 H+0 HETATM 48 H UNK 0 10.966 -0.644 2.096 0.00 0.00 H+0 HETATM 49 H UNK 0 12.632 -0.161 1.612 0.00 0.00 H+0 HETATM 50 H UNK 0 11.093 -0.122 -0.306 0.00 0.00 H+0 HETATM 51 H UNK 0 11.853 1.510 0.082 0.00 0.00 H+0 HETATM 52 H UNK 0 9.520 1.604 -0.625 0.00 0.00 H+0 HETATM 53 H UNK 0 9.738 2.275 1.024 0.00 0.00 H+0 HETATM 54 H UNK 0 9.000 0.078 1.940 0.00 0.00 H+0 HETATM 55 H UNK 0 8.785 -0.586 0.308 0.00 0.00 H+0 HETATM 56 H UNK 0 7.393 1.830 1.598 0.00 0.00 H+0 HETATM 57 H UNK 0 6.639 0.240 1.376 0.00 0.00 H+0 HETATM 58 H UNK 0 5.909 1.884 -0.290 0.00 0.00 H+0 HETATM 59 H UNK 0 7.581 2.262 -0.743 0.00 0.00 H+0 HETATM 60 H UNK 0 7.762 -0.190 -1.722 0.00 0.00 H+0 HETATM 61 H UNK 0 5.806 -0.807 -2.828 0.00 0.00 H+0 HETATM 62 H UNK 0 4.280 1.229 -0.983 0.00 0.00 H+0 HETATM 63 H UNK 0 3.731 -0.282 -1.686 0.00 0.00 H+0 HETATM 64 H UNK 0 3.749 0.408 -3.890 0.00 0.00 H+0 HETATM 65 H UNK 0 4.605 1.923 -3.598 0.00 0.00 H+0 HETATM 66 H UNK 0 2.627 2.589 -2.049 0.00 0.00 H+0 HETATM 67 H UNK 0 2.153 2.389 -3.755 0.00 0.00 H+0 HETATM 68 H UNK 0 1.892 0.426 -1.383 0.00 0.00 H+0 HETATM 69 H UNK 0 1.607 -0.058 -3.075 0.00 0.00 H+0 HETATM 70 H UNK 0 0.302 2.132 -1.359 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.191 1.889 -3.062 0.00 0.00 H+0 HETATM 72 H UNK 0 -1.746 0.794 -1.550 0.00 0.00 H+0 HETATM 73 H UNK 0 -0.436 0.021 -0.646 0.00 0.00 H+0 HETATM 74 H UNK 0 0.138 -1.362 -2.689 0.00 0.00 H+0 HETATM 75 H UNK 0 -1.155 -0.469 -3.604 0.00 0.00 H+0 HETATM 76 H UNK 0 -1.886 -4.540 -0.105 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.789 -4.487 -1.660 0.00 0.00 H+0 HETATM 78 H UNK 0 -2.905 -1.240 -0.059 0.00 0.00 H+0 HETATM 79 H UNK 0 -3.763 0.622 -0.273 0.00 0.00 H+0 HETATM 80 H UNK 0 -2.957 0.565 1.373 0.00 0.00 H+0 HETATM 81 H UNK 0 -4.223 1.763 1.086 0.00 0.00 H+0 HETATM 82 H UNK 0 -7.318 -2.790 2.727 0.00 0.00 H+0 HETATM 83 H UNK 0 -6.423 -1.306 2.982 0.00 0.00 H+0 HETATM 84 H UNK 0 -8.779 -0.802 2.265 0.00 0.00 H+0 HETATM 85 H UNK 0 -7.886 -1.193 -1.791 0.00 0.00 H+0 HETATM 86 H UNK 0 -6.921 -2.280 -0.830 0.00 0.00 H+0 HETATM 87 H UNK 0 -6.502 -0.467 -0.987 0.00 0.00 H+0 HETATM 88 H UNK 0 -9.909 -0.754 -0.851 0.00 0.00 H+0 HETATM 89 H UNK 0 -10.096 -0.010 0.726 0.00 0.00 H+0 HETATM 90 H UNK 0 -8.718 0.856 -1.893 0.00 0.00 H+0 HETATM 91 H UNK 0 -10.154 1.559 -1.184 0.00 0.00 H+0 HETATM 92 H UNK 0 -8.127 3.059 -1.203 0.00 0.00 H+0 HETATM 93 H UNK 0 -6.498 4.014 1.681 0.00 0.00 H+0 HETATM 94 H UNK 0 -7.997 4.804 0.925 0.00 0.00 H+0 HETATM 95 H UNK 0 -6.683 4.201 -0.122 0.00 0.00 H+0 HETATM 96 H UNK 0 -8.184 2.860 2.892 0.00 0.00 H+0 HETATM 97 H UNK 0 -9.119 1.525 2.178 0.00 0.00 H+0 HETATM 98 H UNK 0 -7.274 1.446 2.341 0.00 0.00 H+0 HETATM 99 H UNK 0 -7.434 -4.546 1.901 0.00 0.00 H+0 HETATM 100 H UNK 0 -3.543 -5.943 -0.544 0.00 0.00 H+0 CONECT 1 2 43 44 45 CONECT 2 1 3 46 47 CONECT 3 2 4 48 49 CONECT 4 3 5 50 51 CONECT 5 4 6 52 53 CONECT 6 5 7 54 55 CONECT 7 6 8 56 57 CONECT 8 7 9 58 59 CONECT 9 8 10 60 CONECT 10 9 11 61 CONECT 11 10 12 62 63 CONECT 12 11 13 64 65 CONECT 13 12 14 66 67 CONECT 14 13 15 68 69 CONECT 15 14 16 70 71 CONECT 16 15 17 72 73 CONECT 17 16 18 74 75 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 CONECT 21 20 22 76 77 CONECT 22 21 23 40 CONECT 23 22 24 78 CONECT 24 23 25 27 CONECT 25 24 26 CONECT 26 25 79 80 81 CONECT 27 24 28 38 CONECT 28 27 29 82 83 CONECT 29 28 30 84 CONECT 30 29 31 32 CONECT 31 30 85 86 87 CONECT 32 30 33 88 89 CONECT 33 32 34 90 91 CONECT 34 33 35 92 CONECT 35 34 36 37 CONECT 36 35 93 94 95 CONECT 37 35 96 97 98 CONECT 38 27 39 40 CONECT 39 38 99 CONECT 40 38 41 22 CONECT 41 40 42 100 CONECT 42 41 CONECT 43 1 CONECT 44 1 CONECT 45 1 CONECT 46 2 CONECT 47 2 CONECT 48 3 CONECT 49 3 CONECT 50 4 CONECT 51 4 CONECT 52 5 CONECT 53 5 CONECT 54 6 CONECT 55 6 CONECT 56 7 CONECT 57 7 CONECT 58 8 CONECT 59 8 CONECT 60 9 CONECT 61 10 CONECT 62 11 CONECT 63 11 CONECT 64 12 CONECT 65 12 CONECT 66 13 CONECT 67 13 CONECT 68 14 CONECT 69 14 CONECT 70 15 CONECT 71 15 CONECT 72 16 CONECT 73 16 CONECT 74 17 CONECT 75 17 CONECT 76 21 CONECT 77 21 CONECT 78 23 CONECT 79 26 CONECT 80 26 CONECT 81 26 CONECT 82 28 CONECT 83 28 CONECT 84 29 CONECT 85 31 CONECT 86 31 CONECT 87 31 CONECT 88 32 CONECT 89 32 CONECT 90 33 CONECT 91 33 CONECT 92 34 CONECT 93 36 CONECT 94 36 CONECT 95 36 CONECT 96 37 CONECT 97 37 CONECT 98 37 CONECT 99 39 CONECT 100 41 MASTER 0 0 0 0 0 0 0 0 100 0 200 0 END SMILES for NP0009494 (Hericene D)[H]OC1=C(C([H])=O)C(=C([H])C(OC([H])([H])[H])=C1C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] INCHI for NP0009494 (Hericene D)InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3/b14-13-,31-25+ 3D Structure for NP0009494 (Hericene D) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C37H58O5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 582.8660 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 582.42842 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | {4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl (9Z)-octadec-9-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | {4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl (9Z)-octadec-9-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCCCCCCC\C=C/CCCCCCCC(=O)OCC1=CC(OC)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1C=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3/b14-13-,31-25+ | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | UJSYMVCGDZCLIO-LTBKHPPLSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA002693 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78435581 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 101670645 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | 172758 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
|