Showing NP-Card for Fomitoside A (NP0005664)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 02:51:19 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:52:39 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0005664 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Fomitoside A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Fomitoside A is found in Fomitopsis pinicola. It was first documented in 2005 (PMID: 15679320). Based on a literature review very few articles have been published on (2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl (2R,4E)-6-hydroxy-6-methyl-2-[(2S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-1(10)-en-14-yl]hept-4-enoate. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0005664 (Fomitoside A)Mrv1652307012118043D 97101 0 0 0 0 999 V2000 -5.5324 4.6684 1.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 4.5123 1.2746 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8147 5.6847 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1982 4.4960 2.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 3.2489 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 2.0697 1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6997 0.8850 0.1990 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4092 0.1027 0.1973 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7554 -1.0272 -0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -0.9271 -1.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 -2.1228 -0.2739 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7841 -3.2159 -1.1028 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2695 -3.4370 -1.1106 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5863 -4.1470 -2.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6484 -4.2975 0.0636 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8980 -3.9008 0.5337 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6709 -4.1706 1.1860 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3762 -4.4853 0.8376 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1332 -4.4483 -0.5146 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5793 -5.6035 -1.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 0.8562 -0.4183 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0024 2.1909 0.2693 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5075 2.3568 0.3389 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9762 1.3198 -0.6427 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7819 1.7447 -2.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3886 0.9325 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6903 -0.3370 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7924 -1.4455 -0.7965 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3623 -0.9955 -1.0497 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0531 0.1796 -0.2302 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2341 -0.0538 1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0107 -0.6982 0.2070 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0691 -0.4111 1.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 -2.2129 0.0968 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6963 -2.5695 -0.0106 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6311 -1.5475 0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5325 -1.8336 1.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4601 -0.1482 -0.0028 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7457 0.7948 1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4315 0.0258 -1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 -0.0150 -0.5900 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7685 1.3974 -1.0037 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4802 1.9382 -0.4749 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6530 4.0174 2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1878 4.2753 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7395 5.7375 1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2024 5.3491 -0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7245 5.8149 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 6.5846 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3436 5.2896 2.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1672 3.2806 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6047 2.0162 2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 1.0776 -0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4894 0.1297 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1945 -0.3018 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -3.0647 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8408 -2.4858 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5611 -4.2552 -2.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7097 -5.3830 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2624 -4.5406 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9841 -4.8974 1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7656 -3.1683 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0423 -4.3748 -0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2219 -5.6195 -2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5401 1.0789 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3291 3.0394 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3664 2.2616 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8403 3.3801 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 2.1275 1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 2.7951 -2.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 1.8303 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0956 1.1621 -2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -1.9374 -1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 -2.1473 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.7811 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2424 -1.9041 -0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 -1.1408 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 0.5652 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2469 0.1561 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 0.5764 1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 -1.1260 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0355 -0.6748 2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7254 -2.6669 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8284 -2.7153 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 -3.5219 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 -2.7965 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9191 1.4422 1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5553 1.4974 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2371 0.2664 1.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9469 -0.4658 -2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3821 -0.5059 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5965 1.1000 -1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -0.6042 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 1.5515 -2.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5854 2.0729 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 2.4469 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 2.8026 -1.1473 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 1 1 0 0 0 2 5 1 0 0 0 0 5 6 2 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 9 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 13 15 1 0 0 0 0 15 16 1 0 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 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 27 32 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 19 12 1 0 0 0 0 30 21 1 0 0 0 0 41 32 1 0 0 0 0 30 24 1 0 0 0 0 43 26 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 3 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 5 51 1 0 0 0 0 6 52 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 8 55 1 1 0 0 0 12 56 1 6 0 0 0 13 57 1 1 0 0 0 14 58 1 0 0 0 0 15 59 1 6 0 0 0 16 60 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 19 63 1 1 0 0 0 20 64 1 0 0 0 0 21 65 1 6 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 93 1 6 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 M END 3D MOL for NP0005664 (Fomitoside A)RDKit 3D 97101 0 0 0 0 0 0 0 0999 V2000 -5.5324 4.6684 1.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 4.5123 1.2746 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8147 5.6847 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1982 4.4960 2.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 3.2489 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 2.0697 1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6997 0.8850 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4092 0.1027 0.1973 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7554 -1.0272 -0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -0.9271 -1.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 -2.1228 -0.2739 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7841 -3.2159 -1.1028 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2695 -3.4370 -1.1106 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5863 -4.1470 -2.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6484 -4.2975 0.0636 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8980 -3.9008 0.5337 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6709 -4.1706 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3762 -4.4853 0.8376 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1332 -4.4483 -0.5146 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5793 -5.6035 -1.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 0.8562 -0.4183 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0024 2.1909 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 2.3568 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9762 1.3198 -0.6427 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7819 1.7447 -2.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3886 0.9325 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6903 -0.3370 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7924 -1.4455 -0.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3623 -0.9955 -1.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0531 0.1796 -0.2302 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2341 -0.0538 1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0107 -0.6982 0.2070 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0691 -0.4111 1.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 -2.2129 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6963 -2.5695 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6311 -1.5475 0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5325 -1.8336 1.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4601 -0.1482 -0.0028 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7457 0.7948 1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4315 0.0258 -1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 -0.0150 -0.5900 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7685 1.3974 -1.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 1.9382 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 4.0174 2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1878 4.2753 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7395 5.7375 1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2024 5.3491 -0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7245 5.8149 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 6.5846 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3436 5.2896 2.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1672 3.2806 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6047 2.0162 2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 1.0776 -0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4894 0.1297 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1945 -0.3018 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -3.0647 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8408 -2.4858 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5611 -4.2552 -2.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7097 -5.3830 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2624 -4.5406 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9841 -4.8974 1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7656 -3.1683 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0423 -4.3748 -0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2219 -5.6195 -2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5401 1.0789 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3291 3.0394 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3664 2.2616 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8403 3.3801 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 2.1275 1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 2.7951 -2.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 1.8303 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0956 1.1621 -2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -1.9374 -1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 -2.1473 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.7811 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2424 -1.9041 -0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 -1.1408 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 0.5652 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2469 0.1561 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 0.5764 1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 -1.1260 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0355 -0.6748 2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7254 -2.6669 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8284 -2.7153 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 -3.5219 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 -2.7965 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9191 1.4422 1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5553 1.4974 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2371 0.2664 1.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9469 -0.4658 -2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3821 -0.5059 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5965 1.1000 -1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -0.6042 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 1.5515 -2.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5854 2.0729 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 2.4469 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 2.8026 -1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 1 2 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 8 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 6 24 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 1 27 32 1 0 32 33 1 1 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 1 38 40 1 0 38 41 1 0 41 42 1 0 42 43 1 0 19 12 1 0 30 21 1 0 41 32 1 0 30 24 1 0 43 26 1 0 1 44 1 0 1 45 1 0 1 46 1 0 3 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 7 54 1 0 8 55 1 1 12 56 1 6 13 57 1 1 14 58 1 0 15 59 1 6 16 60 1 0 17 61 1 0 17 62 1 0 19 63 1 1 20 64 1 0 21 65 1 6 22 66 1 0 22 67 1 0 23 68 1 0 23 69 1 0 25 70 1 0 25 71 1 0 25 72 1 0 28 73 1 0 28 74 1 0 29 75 1 0 29 76 1 0 31 77 1 0 31 78 1 0 31 79 1 0 33 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 39 87 1 0 39 88 1 0 39 89 1 0 40 90 1 0 40 91 1 0 40 92 1 0 41 93 1 6 42 94 1 0 42 95 1 0 43 96 1 0 43 97 1 0 M END 3D SDF for NP0005664 (Fomitoside A)Mrv1652307012118043D 97101 0 0 0 0 999 V2000 -5.5324 4.6684 1.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 4.5123 1.2746 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8147 5.6847 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1982 4.4960 2.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 3.2489 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 2.0697 1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6997 0.8850 0.1990 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4092 0.1027 0.1973 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7554 -1.0272 -0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -0.9271 -1.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 -2.1228 -0.2739 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7841 -3.2159 -1.1028 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2695 -3.4370 -1.1106 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5863 -4.1470 -2.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6484 -4.2975 0.0636 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8980 -3.9008 0.5337 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6709 -4.1706 1.1860 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3762 -4.4853 0.8376 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1332 -4.4483 -0.5146 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5793 -5.6035 -1.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 0.8562 -0.4183 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0024 2.1909 0.2693 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5075 2.3568 0.3389 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9762 1.3198 -0.6427 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7819 1.7447 -2.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3886 0.9325 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6903 -0.3370 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7924 -1.4455 -0.7965 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3623 -0.9955 -1.0497 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0531 0.1796 -0.2302 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2341 -0.0538 1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0107 -0.6982 0.2070 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0691 -0.4111 1.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 -2.2129 0.0968 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6963 -2.5695 -0.0106 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6311 -1.5475 0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5325 -1.8336 1.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4601 -0.1482 -0.0028 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7457 0.7948 1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4315 0.0258 -1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 -0.0150 -0.5900 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7685 1.3974 -1.0037 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4802 1.9382 -0.4749 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6530 4.0174 2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1878 4.2753 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7395 5.7375 1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2024 5.3491 -0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7245 5.8149 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 6.5846 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3436 5.2896 2.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1672 3.2806 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6047 2.0162 2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 1.0776 -0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4894 0.1297 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1945 -0.3018 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -3.0647 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8408 -2.4858 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5611 -4.2552 -2.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7097 -5.3830 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2624 -4.5406 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9841 -4.8974 1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7656 -3.1683 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0423 -4.3748 -0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2219 -5.6195 -2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5401 1.0789 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3291 3.0394 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3664 2.2616 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8403 3.3801 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 2.1275 1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 2.7951 -2.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 1.8303 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0956 1.1621 -2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -1.9374 -1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 -2.1473 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.7811 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2424 -1.9041 -0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 -1.1408 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 0.5652 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2469 0.1561 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 0.5764 1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 -1.1260 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0355 -0.6748 2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7254 -2.6669 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8284 -2.7153 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 -3.5219 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 -2.7965 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9191 1.4422 1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5553 1.4974 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2371 0.2664 1.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9469 -0.4658 -2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3821 -0.5059 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5965 1.1000 -1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -0.6042 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 1.5515 -2.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5854 2.0729 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 2.4469 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 2.8026 -1.1473 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 1 1 0 0 0 2 5 1 0 0 0 0 5 6 2 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 9 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 13 15 1 0 0 0 0 15 16 1 0 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 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 27 32 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 19 12 1 0 0 0 0 30 21 1 0 0 0 0 41 32 1 0 0 0 0 30 24 1 0 0 0 0 43 26 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 3 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 5 51 1 0 0 0 0 6 52 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 8 55 1 1 0 0 0 12 56 1 6 0 0 0 13 57 1 1 0 0 0 14 58 1 0 0 0 0 15 59 1 6 0 0 0 16 60 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 19 63 1 1 0 0 0 20 64 1 0 0 0 0 21 65 1 6 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 93 1 6 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 M END > <DATABASE_ID> NP0005664 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@]1([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])OC(=O)[C@]([H])(C([H])([H])C(\[H])=C(/[H])C(O[H])(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C3=C(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])C3([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C35H54O8/c1-31(2,41)15-8-9-20(29(39)43-28-27(38)24(36)19-42-30(28)40)21-12-17-35(7)23-10-11-25-32(3,4)26(37)14-16-33(25,5)22(23)13-18-34(21,35)6/h8,15,20-21,24-25,27-28,30,36,38,40-41H,9-14,16-19H2,1-7H3/b15-8+/t20-,21-,24-,25+,27+,28-,30-,33-,34-,35+/m1/s1 > <INCHI_KEY> PIXBMLWQDSJWSM-JCGSAEKZSA-N > <FORMULA> C35H54O8 > <MOLECULAR_WEIGHT> 602.809 > <EXACT_MASS> 602.381868699 > <JCHEM_ACCEPTOR_COUNT> 7 > <JCHEM_ATOM_COUNT> 97 > <JCHEM_AVERAGE_POLARIZABILITY> 68.92613721739447 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 4 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl (2R,4E)-6-hydroxy-6-methyl-2-[(2S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]hept-4-enoate > <ALOGPS_LOGP> 4.34 > <JCHEM_LOGP> 4.296643092000001 > <ALOGPS_LOGS> -5.04 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 5 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 12.903444877679163 > <JCHEM_PKA_STRONGEST_ACIDIC> 11.31551100078858 > <JCHEM_PKA_STRONGEST_BASIC> -1.5815187170893124 > <JCHEM_POLAR_SURFACE_AREA> 133.52 > <JCHEM_REFRACTIVITY> 163.83110000000002 > <JCHEM_ROTATABLE_BOND_COUNT> 7 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 5.54e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl (2R,4E)-6-hydroxy-6-methyl-2-[(2S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]hept-4-enoate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0005664 (Fomitoside A)RDKit 3D 97101 0 0 0 0 0 0 0 0999 V2000 -5.5324 4.6684 1.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 4.5123 1.2746 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8147 5.6847 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1982 4.4960 2.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 3.2489 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 2.0697 1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6997 0.8850 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4092 0.1027 0.1973 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7554 -1.0272 -0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -0.9271 -1.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 -2.1228 -0.2739 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7841 -3.2159 -1.1028 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2695 -3.4370 -1.1106 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5863 -4.1470 -2.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6484 -4.2975 0.0636 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8980 -3.9008 0.5337 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6709 -4.1706 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3762 -4.4853 0.8376 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1332 -4.4483 -0.5146 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5793 -5.6035 -1.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 0.8562 -0.4183 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0024 2.1909 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 2.3568 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9762 1.3198 -0.6427 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7819 1.7447 -2.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3886 0.9325 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6903 -0.3370 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7924 -1.4455 -0.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3623 -0.9955 -1.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0531 0.1796 -0.2302 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2341 -0.0538 1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0107 -0.6982 0.2070 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0691 -0.4111 1.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 -2.2129 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6963 -2.5695 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6311 -1.5475 0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5325 -1.8336 1.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4601 -0.1482 -0.0028 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7457 0.7948 1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4315 0.0258 -1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 -0.0150 -0.5900 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7685 1.3974 -1.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 1.9382 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 4.0174 2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1878 4.2753 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7395 5.7375 1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2024 5.3491 -0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7245 5.8149 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 6.5846 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3436 5.2896 2.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1672 3.2806 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6047 2.0162 2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 1.0776 -0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4894 0.1297 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1945 -0.3018 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -3.0647 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8408 -2.4858 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5611 -4.2552 -2.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7097 -5.3830 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2624 -4.5406 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9841 -4.8974 1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7656 -3.1683 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0423 -4.3748 -0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2219 -5.6195 -2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5401 1.0789 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3291 3.0394 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3664 2.2616 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8403 3.3801 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 2.1275 1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 2.7951 -2.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 1.8303 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0956 1.1621 -2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -1.9374 -1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 -2.1473 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.7811 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2424 -1.9041 -0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 -1.1408 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 0.5652 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2469 0.1561 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 0.5764 1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 -1.1260 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0355 -0.6748 2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7254 -2.6669 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8284 -2.7153 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 -3.5219 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 -2.7965 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9191 1.4422 1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5553 1.4974 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2371 0.2664 1.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9469 -0.4658 -2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3821 -0.5059 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5965 1.1000 -1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -0.6042 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 1.5515 -2.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5854 2.0729 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 2.4469 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 2.8026 -1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 1 2 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 8 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 6 24 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 1 27 32 1 0 32 33 1 1 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 1 38 40 1 0 38 41 1 0 41 42 1 0 42 43 1 0 19 12 1 0 30 21 1 0 41 32 1 0 30 24 1 0 43 26 1 0 1 44 1 0 1 45 1 0 1 46 1 0 3 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 7 54 1 0 8 55 1 1 12 56 1 6 13 57 1 1 14 58 1 0 15 59 1 6 16 60 1 0 17 61 1 0 17 62 1 0 19 63 1 1 20 64 1 0 21 65 1 6 22 66 1 0 22 67 1 0 23 68 1 0 23 69 1 0 25 70 1 0 25 71 1 0 25 72 1 0 28 73 1 0 28 74 1 0 29 75 1 0 29 76 1 0 31 77 1 0 31 78 1 0 31 79 1 0 33 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 39 87 1 0 39 88 1 0 39 89 1 0 40 90 1 0 40 91 1 0 40 92 1 0 41 93 1 6 42 94 1 0 42 95 1 0 43 96 1 0 43 97 1 0 M END PDB for NP0005664 (Fomitoside A)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 -5.532 4.668 1.726 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.090 4.512 1.275 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.815 5.685 0.327 0.00 0.00 C+0 HETATM 4 O UNK 0 -3.198 4.496 2.323 0.00 0.00 O+0 HETATM 5 C UNK 0 -4.012 3.249 0.486 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.760 2.070 1.027 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.700 0.885 0.199 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.409 0.103 0.197 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.755 -1.027 -0.746 0.00 0.00 C+0 HETATM 10 O UNK 0 -2.427 -0.927 -1.929 0.00 0.00 O+0 HETATM 11 O UNK 0 -3.423 -2.123 -0.274 0.00 0.00 O+0 HETATM 12 C UNK 0 -3.784 -3.216 -1.103 0.00 0.00 C+0 HETATM 13 C UNK 0 -5.269 -3.437 -1.111 0.00 0.00 C+0 HETATM 14 O UNK 0 -5.586 -4.147 -2.271 0.00 0.00 O+0 HETATM 15 C UNK 0 -5.648 -4.298 0.064 0.00 0.00 C+0 HETATM 16 O UNK 0 -6.898 -3.901 0.534 0.00 0.00 O+0 HETATM 17 C UNK 0 -4.671 -4.171 1.186 0.00 0.00 C+0 HETATM 18 O UNK 0 -3.376 -4.485 0.838 0.00 0.00 O+0 HETATM 19 C UNK 0 -3.133 -4.448 -0.515 0.00 0.00 C+0 HETATM 20 O UNK 0 -3.579 -5.604 -1.149 0.00 0.00 O+0 HETATM 21 C UNK 0 -1.284 0.856 -0.418 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.002 2.191 0.269 0.00 0.00 C+0 HETATM 23 C UNK 0 0.507 2.357 0.339 0.00 0.00 C+0 HETATM 24 C UNK 0 0.976 1.320 -0.643 0.00 0.00 C+0 HETATM 25 C UNK 0 0.782 1.745 -2.070 0.00 0.00 C+0 HETATM 26 C UNK 0 2.389 0.933 -0.492 0.00 0.00 C+0 HETATM 27 C UNK 0 2.690 -0.337 -0.378 0.00 0.00 C+0 HETATM 28 C UNK 0 1.792 -1.446 -0.797 0.00 0.00 C+0 HETATM 29 C UNK 0 0.362 -0.996 -1.050 0.00 0.00 C+0 HETATM 30 C UNK 0 0.053 0.180 -0.230 0.00 0.00 C+0 HETATM 31 C UNK 0 0.234 -0.054 1.256 0.00 0.00 C+0 HETATM 32 C UNK 0 4.011 -0.698 0.207 0.00 0.00 C+0 HETATM 33 C UNK 0 4.069 -0.411 1.685 0.00 0.00 C+0 HETATM 34 C UNK 0 4.253 -2.213 0.097 0.00 0.00 C+0 HETATM 35 C UNK 0 5.696 -2.570 -0.011 0.00 0.00 C+0 HETATM 36 C UNK 0 6.631 -1.548 0.461 0.00 0.00 C+0 HETATM 37 O UNK 0 7.532 -1.834 1.219 0.00 0.00 O+0 HETATM 38 C UNK 0 6.460 -0.148 -0.003 0.00 0.00 C+0 HETATM 39 C UNK 0 6.746 0.795 1.103 0.00 0.00 C+0 HETATM 40 C UNK 0 7.431 0.026 -1.179 0.00 0.00 C+0 HETATM 41 C UNK 0 5.068 -0.015 -0.590 0.00 0.00 C+0 HETATM 42 C UNK 0 4.769 1.397 -1.004 0.00 0.00 C+0 HETATM 43 C UNK 0 3.480 1.938 -0.475 0.00 0.00 C+0 HETATM 44 H UNK 0 -5.653 4.017 2.616 0.00 0.00 H+0 HETATM 45 H UNK 0 -6.188 4.275 0.909 0.00 0.00 H+0 HETATM 46 H UNK 0 -5.739 5.737 1.953 0.00 0.00 H+0 HETATM 47 H UNK 0 -4.202 5.349 -0.674 0.00 0.00 H+0 HETATM 48 H UNK 0 -2.724 5.815 0.210 0.00 0.00 H+0 HETATM 49 H UNK 0 -4.361 6.585 0.605 0.00 0.00 H+0 HETATM 50 H UNK 0 -3.344 5.290 2.878 0.00 0.00 H+0 HETATM 51 H UNK 0 -4.167 3.281 -0.586 0.00 0.00 H+0 HETATM 52 H UNK 0 -3.605 2.016 2.094 0.00 0.00 H+0 HETATM 53 H UNK 0 -3.959 1.078 -0.878 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.489 0.130 0.510 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.195 -0.302 1.206 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.460 -3.065 -2.156 0.00 0.00 H+0 HETATM 57 H UNK 0 -5.841 -2.486 -1.145 0.00 0.00 H+0 HETATM 58 H UNK 0 -6.561 -4.255 -2.394 0.00 0.00 H+0 HETATM 59 H UNK 0 -5.710 -5.383 -0.210 0.00 0.00 H+0 HETATM 60 H UNK 0 -7.262 -4.541 1.190 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.984 -4.897 1.985 0.00 0.00 H+0 HETATM 62 H UNK 0 -4.766 -3.168 1.658 0.00 0.00 H+0 HETATM 63 H UNK 0 -2.042 -4.375 -0.710 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.222 -5.620 -2.064 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.540 1.079 -1.463 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.329 3.039 -0.405 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.366 2.262 1.288 0.00 0.00 H+0 HETATM 68 H UNK 0 0.840 3.380 0.033 0.00 0.00 H+0 HETATM 69 H UNK 0 0.917 2.127 1.341 0.00 0.00 H+0 HETATM 70 H UNK 0 0.368 2.795 -2.039 0.00 0.00 H+0 HETATM 71 H UNK 0 1.744 1.830 -2.634 0.00 0.00 H+0 HETATM 72 H UNK 0 0.096 1.162 -2.667 0.00 0.00 H+0 HETATM 73 H UNK 0 2.133 -1.937 -1.742 0.00 0.00 H+0 HETATM 74 H UNK 0 1.774 -2.147 0.063 0.00 0.00 H+0 HETATM 75 H UNK 0 0.270 -0.781 -2.111 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.242 -1.904 -0.828 0.00 0.00 H+0 HETATM 77 H UNK 0 0.046 -1.141 1.508 0.00 0.00 H+0 HETATM 78 H UNK 0 -0.466 0.565 1.847 0.00 0.00 H+0 HETATM 79 H UNK 0 1.247 0.156 1.626 0.00 0.00 H+0 HETATM 80 H UNK 0 3.760 0.576 1.995 0.00 0.00 H+0 HETATM 81 H UNK 0 3.327 -1.126 2.154 0.00 0.00 H+0 HETATM 82 H UNK 0 5.035 -0.675 2.111 0.00 0.00 H+0 HETATM 83 H UNK 0 3.725 -2.667 -0.742 0.00 0.00 H+0 HETATM 84 H UNK 0 3.828 -2.715 1.017 0.00 0.00 H+0 HETATM 85 H UNK 0 5.878 -3.522 0.562 0.00 0.00 H+0 HETATM 86 H UNK 0 5.940 -2.797 -1.091 0.00 0.00 H+0 HETATM 87 H UNK 0 5.919 1.442 1.412 0.00 0.00 H+0 HETATM 88 H UNK 0 7.555 1.497 0.742 0.00 0.00 H+0 HETATM 89 H UNK 0 7.237 0.266 1.973 0.00 0.00 H+0 HETATM 90 H UNK 0 6.947 -0.466 -2.048 0.00 0.00 H+0 HETATM 91 H UNK 0 8.382 -0.506 -0.991 0.00 0.00 H+0 HETATM 92 H UNK 0 7.596 1.100 -1.396 0.00 0.00 H+0 HETATM 93 H UNK 0 5.130 -0.604 -1.558 0.00 0.00 H+0 HETATM 94 H UNK 0 4.786 1.552 -2.103 0.00 0.00 H+0 HETATM 95 H UNK 0 5.585 2.073 -0.612 0.00 0.00 H+0 HETATM 96 H UNK 0 3.586 2.447 0.526 0.00 0.00 H+0 HETATM 97 H UNK 0 3.187 2.803 -1.147 0.00 0.00 H+0 CONECT 1 2 44 45 46 CONECT 2 1 3 4 5 CONECT 3 2 47 48 49 CONECT 4 2 50 CONECT 5 2 6 51 CONECT 6 5 7 52 CONECT 7 6 8 53 54 CONECT 8 7 9 21 55 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 CONECT 12 11 13 19 56 CONECT 13 12 14 15 57 CONECT 14 13 58 CONECT 15 13 16 17 59 CONECT 16 15 60 CONECT 17 15 18 61 62 CONECT 18 17 19 CONECT 19 18 20 12 63 CONECT 20 19 64 CONECT 21 8 22 30 65 CONECT 22 21 23 66 67 CONECT 23 22 24 68 69 CONECT 24 23 25 26 30 CONECT 25 24 70 71 72 CONECT 26 24 27 43 CONECT 27 26 28 32 CONECT 28 27 29 73 74 CONECT 29 28 30 75 76 CONECT 30 29 31 21 24 CONECT 31 30 77 78 79 CONECT 32 27 33 34 41 CONECT 33 32 80 81 82 CONECT 34 32 35 83 84 CONECT 35 34 36 85 86 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 39 40 41 CONECT 39 38 87 88 89 CONECT 40 38 90 91 92 CONECT 41 38 42 32 93 CONECT 42 41 43 94 95 CONECT 43 42 26 96 97 CONECT 44 1 CONECT 45 1 CONECT 46 1 CONECT 47 3 CONECT 48 3 CONECT 49 3 CONECT 50 4 CONECT 51 5 CONECT 52 6 CONECT 53 7 CONECT 54 7 CONECT 55 8 CONECT 56 12 CONECT 57 13 CONECT 58 14 CONECT 59 15 CONECT 60 16 CONECT 61 17 CONECT 62 17 CONECT 63 19 CONECT 64 20 CONECT 65 21 CONECT 66 22 CONECT 67 22 CONECT 68 23 CONECT 69 23 CONECT 70 25 CONECT 71 25 CONECT 72 25 CONECT 73 28 CONECT 74 28 CONECT 75 29 CONECT 76 29 CONECT 77 31 CONECT 78 31 CONECT 79 31 CONECT 80 33 CONECT 81 33 CONECT 82 33 CONECT 83 34 CONECT 84 34 CONECT 85 35 CONECT 86 35 CONECT 87 39 CONECT 88 39 CONECT 89 39 CONECT 90 40 CONECT 91 40 CONECT 92 40 CONECT 93 41 CONECT 94 42 CONECT 95 42 CONECT 96 43 CONECT 97 43 MASTER 0 0 0 0 0 0 0 0 97 0 202 0 END SMILES for NP0005664 (Fomitoside A)[H]O[C@]1([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])OC(=O)[C@]([H])(C([H])([H])C(\[H])=C(/[H])C(O[H])(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C3=C(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])C3([H])[H])C([H])([H])[H] INCHI for NP0005664 (Fomitoside A)InChI=1S/C35H54O8/c1-31(2,41)15-8-9-20(29(39)43-28-27(38)24(36)19-42-30(28)40)21-12-17-35(7)23-10-11-25-32(3,4)26(37)14-16-33(25,5)22(23)13-18-34(21,35)6/h8,15,20-21,24-25,27-28,30,36,38,40-41H,9-14,16-19H2,1-7H3/b15-8+/t20-,21-,24-,25+,27+,28-,30-,33-,34-,35+/m1/s1 3D Structure for NP0005664 (Fomitoside A) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C35H54O8 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 602.8090 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 602.38187 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl (2R,4E)-6-hydroxy-6-methyl-2-[(2S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]hept-4-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl (2R,4E)-6-hydroxy-6-methyl-2-[(2S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]hept-4-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)(O)\C=C\C[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O[C@H]1[C@H](O)OC[C@@H](O)[C@@H]1O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C35H54O8/c1-31(2,41)15-8-9-20(29(39)43-28-27(38)24(36)19-42-30(28)40)21-12-17-35(7)23-10-11-25-32(3,4)26(37)14-16-33(25,5)22(23)13-18-34(21,35)6/h8,15,20-21,24-25,27-28,30,36,38,40-41H,9-14,16-19H2,1-7H3/b15-8+/t20-,21-,24-,25+,27+,28-,30-,33-,34-,35+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | PIXBMLWQDSJWSM-JCGSAEKZSA-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 | NPA011761 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78437670 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139586367 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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