Showing NP-Card for NF00659A2 (NP0023448)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 08:31:43 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:41:46 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0023448 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | NF00659A2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | NF00659A2 is found in Aspergillus. It was first documented in 1997 (PMID: 9186556). Based on a literature review very few articles have been published on NF00659A2. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0023448 (NF00659A2)Mrv1652307042108183D 99102 0 0 0 0 999 V2000 -6.6947 -1.2247 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5197 -0.6629 0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0617 -0.6070 2.3619 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5659 0.5598 2.9227 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5643 -0.7076 2.4854 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0407 -1.1293 1.1192 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6672 -1.7509 1.1849 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9274 -3.0578 1.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6578 -1.0056 1.9551 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4618 -0.3370 1.2919 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5814 -1.2098 0.7764 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6621 -0.4141 0.3166 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 -0.3619 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1497 -1.0634 1.8983 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 0.4758 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 0.5125 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2729 1.3397 0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4389 1.3677 1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5231 2.2123 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6733 2.1900 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8056 3.0209 0.7071 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3961 3.7695 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9424 2.0434 0.3865 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4217 1.1116 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 -2.1057 -0.3009 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1047 -3.5586 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9804 -2.0764 -1.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -1.6444 -0.7163 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -2.1843 -0.1920 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3702 -1.8740 -1.2308 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5765 -0.4023 -1.1844 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3052 -0.0968 0.1118 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0182 1.3191 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 -0.1542 -0.2211 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2977 1.1531 -0.7418 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7113 1.1472 -1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1223 0.6380 -2.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 0.0949 -3.3108 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4846 0.6723 -2.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9685 0.1310 -3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3705 1.2067 -1.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8406 1.2400 -2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9024 1.6743 -0.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6426 1.6711 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2705 2.1555 0.8286 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3021 -1.6254 1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0777 -1.2978 -0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5169 -1.4481 2.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4739 0.4587 3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1046 0.2169 2.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2876 -1.5175 3.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7272 -2.0087 0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5265 -3.9390 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9884 -3.2583 2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 -3.0305 2.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1866 -0.2053 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 -1.6271 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 0.2754 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9573 0.3142 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 -1.7836 1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8524 1.1006 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 -0.1001 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1361 1.9719 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5795 0.7456 1.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3392 2.8131 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7593 1.5553 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1271 3.7616 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1075 3.0420 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5508 4.4490 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3015 4.3600 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8655 2.5528 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0819 1.4509 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3137 1.0474 -0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8628 0.0948 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7032 1.5213 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2103 -3.8132 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 -4.2279 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -3.6052 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 -2.7416 -1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2014 -1.0609 -1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3529 -2.5434 -2.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 -3.2987 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 -2.4869 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 -2.1109 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1187 -0.0548 -2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5973 0.1099 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6888 1.7129 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0962 2.0161 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 1.3874 0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8914 -0.9468 -1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 1.4130 -1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1363 2.0010 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2562 0.0990 -3.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8522 0.7541 -4.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3053 -0.9148 -3.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1958 0.3229 -4.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1108 0.3385 -2.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1362 2.1803 -2.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3541 1.1380 -1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 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 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 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 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 11 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 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 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 34 2 1 0 0 0 0 44 36 1 0 0 0 0 32 6 1 0 0 0 0 29 7 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 3 48 1 1 0 0 0 4 49 1 0 0 0 0 5 50 1 0 0 0 0 5 51 1 0 0 0 0 6 52 1 6 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 8 55 1 0 0 0 0 9 56 1 0 0 0 0 9 57 1 0 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 11 60 1 1 0 0 0 15 61 1 0 0 0 0 16 62 1 0 0 0 0 17 63 1 0 0 0 0 18 64 1 0 0 0 0 19 65 1 0 0 0 0 20 66 1 0 0 0 0 21 67 1 1 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 27 81 1 0 0 0 0 29 82 1 1 0 0 0 30 83 1 0 0 0 0 30 84 1 0 0 0 0 31 85 1 0 0 0 0 31 86 1 0 0 0 0 33 87 1 0 0 0 0 33 88 1 0 0 0 0 33 89 1 0 0 0 0 34 90 1 6 0 0 0 35 91 1 0 0 0 0 35 92 1 0 0 0 0 38 93 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 40 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 M END 3D MOL for NP0023448 (NF00659A2)RDKit 3D 99102 0 0 0 0 0 0 0 0999 V2000 -6.6947 -1.2247 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5197 -0.6629 0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0617 -0.6070 2.3619 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5659 0.5598 2.9227 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5643 -0.7076 2.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 -1.1293 1.1192 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6672 -1.7509 1.1849 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9274 -3.0578 1.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6578 -1.0056 1.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4618 -0.3370 1.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5814 -1.2098 0.7764 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6621 -0.4141 0.3166 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 -0.3619 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1497 -1.0634 1.8983 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 0.4758 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 0.5125 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2729 1.3397 0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4389 1.3677 1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5231 2.2123 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6733 2.1900 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8056 3.0209 0.7071 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3961 3.7695 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9424 2.0434 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4217 1.1116 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 -2.1057 -0.3009 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1047 -3.5586 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9804 -2.0764 -1.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -1.6444 -0.7163 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -2.1843 -0.1920 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3702 -1.8740 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5765 -0.4023 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3052 -0.0968 0.1118 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0182 1.3191 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 -0.1542 -0.2211 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2977 1.1531 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7113 1.1472 -1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1223 0.6380 -2.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 0.0949 -3.3108 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4846 0.6723 -2.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9685 0.1310 -3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3705 1.2067 -1.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8406 1.2400 -2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9024 1.6743 -0.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6426 1.6711 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2705 2.1555 0.8286 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3021 -1.6254 1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0777 -1.2978 -0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5169 -1.4481 2.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4739 0.4587 3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1046 0.2169 2.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2876 -1.5175 3.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7272 -2.0087 0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5265 -3.9390 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9884 -3.2583 2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 -3.0305 2.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1866 -0.2053 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 -1.6271 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 0.2754 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9573 0.3142 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 -1.7836 1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8524 1.1006 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 -0.1001 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1361 1.9719 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5795 0.7456 1.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3392 2.8131 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7593 1.5553 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1271 3.7616 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1075 3.0420 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5508 4.4490 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3015 4.3600 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8655 2.5528 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0819 1.4509 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3137 1.0474 -0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8628 0.0948 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7032 1.5213 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2103 -3.8132 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 -4.2279 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -3.6052 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 -2.7416 -1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2014 -1.0609 -1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3529 -2.5434 -2.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 -3.2987 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 -2.4869 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 -2.1109 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1187 -0.0548 -2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5973 0.1099 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6888 1.7129 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0962 2.0161 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 1.3874 0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8914 -0.9468 -1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 1.4130 -1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1363 2.0010 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2562 0.0990 -3.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8522 0.7541 -4.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3053 -0.9148 -3.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1958 0.3229 -4.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1108 0.3385 -2.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1362 2.1803 -2.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3541 1.1380 -1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 1 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 11 25 1 0 25 26 1 1 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 1 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 2 0 34 2 1 0 44 36 1 0 32 6 1 0 29 7 1 0 1 46 1 0 1 47 1 0 3 48 1 1 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 6 8 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 9 57 1 0 10 58 1 0 10 59 1 0 11 60 1 1 15 61 1 0 16 62 1 0 17 63 1 0 18 64 1 0 19 65 1 0 20 66 1 0 21 67 1 1 22 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 23 72 1 0 24 73 1 0 24 74 1 0 24 75 1 0 26 76 1 0 26 77 1 0 26 78 1 0 27 79 1 0 27 80 1 0 27 81 1 0 29 82 1 1 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 33 87 1 0 33 88 1 0 33 89 1 0 34 90 1 6 35 91 1 0 35 92 1 0 38 93 1 0 40 94 1 0 40 95 1 0 40 96 1 0 42 97 1 0 42 98 1 0 42 99 1 0 M END 3D SDF for NP0023448 (NF00659A2)Mrv1652307042108183D 99102 0 0 0 0 999 V2000 -6.6947 -1.2247 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5197 -0.6629 0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0617 -0.6070 2.3619 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5659 0.5598 2.9227 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5643 -0.7076 2.4854 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0407 -1.1293 1.1192 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6672 -1.7509 1.1849 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9274 -3.0578 1.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6578 -1.0056 1.9551 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4618 -0.3370 1.2919 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5814 -1.2098 0.7764 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6621 -0.4141 0.3166 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 -0.3619 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1497 -1.0634 1.8983 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 0.4758 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 0.5125 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2729 1.3397 0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4389 1.3677 1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5231 2.2123 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6733 2.1900 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8056 3.0209 0.7071 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3961 3.7695 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9424 2.0434 0.3865 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4217 1.1116 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 -2.1057 -0.3009 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1047 -3.5586 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9804 -2.0764 -1.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -1.6444 -0.7163 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -2.1843 -0.1920 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3702 -1.8740 -1.2308 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5765 -0.4023 -1.1844 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3052 -0.0968 0.1118 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0182 1.3191 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 -0.1542 -0.2211 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2977 1.1531 -0.7418 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7113 1.1472 -1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1223 0.6380 -2.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 0.0949 -3.3108 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4846 0.6723 -2.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9685 0.1310 -3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3705 1.2067 -1.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8406 1.2400 -2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9024 1.6743 -0.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6426 1.6711 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2705 2.1555 0.8286 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3021 -1.6254 1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0777 -1.2978 -0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5169 -1.4481 2.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4739 0.4587 3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1046 0.2169 2.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2876 -1.5175 3.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7272 -2.0087 0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5265 -3.9390 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9884 -3.2583 2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 -3.0305 2.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1866 -0.2053 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 -1.6271 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 0.2754 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9573 0.3142 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 -1.7836 1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8524 1.1006 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 -0.1001 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1361 1.9719 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5795 0.7456 1.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3392 2.8131 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7593 1.5553 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1271 3.7616 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1075 3.0420 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5508 4.4490 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3015 4.3600 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8655 2.5528 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0819 1.4509 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3137 1.0474 -0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8628 0.0948 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7032 1.5213 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2103 -3.8132 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 -4.2279 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -3.6052 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 -2.7416 -1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2014 -1.0609 -1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3529 -2.5434 -2.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 -3.2987 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 -2.4869 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 -2.1109 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1187 -0.0548 -2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5973 0.1099 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6888 1.7129 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0962 2.0161 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 1.3874 0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8914 -0.9468 -1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 1.4130 -1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1363 2.0010 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2562 0.0990 -3.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8522 0.7541 -4.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3053 -0.9148 -3.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1958 0.3229 -4.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1108 0.3385 -2.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1362 2.1803 -2.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3541 1.1380 -1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 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 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 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 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 11 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 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 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 34 2 1 0 0 0 0 44 36 1 0 0 0 0 32 6 1 0 0 0 0 29 7 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 3 48 1 1 0 0 0 4 49 1 0 0 0 0 5 50 1 0 0 0 0 5 51 1 0 0 0 0 6 52 1 6 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 8 55 1 0 0 0 0 9 56 1 0 0 0 0 9 57 1 0 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 11 60 1 1 0 0 0 15 61 1 0 0 0 0 16 62 1 0 0 0 0 17 63 1 0 0 0 0 18 64 1 0 0 0 0 19 65 1 0 0 0 0 20 66 1 0 0 0 0 21 67 1 1 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 27 81 1 0 0 0 0 29 82 1 1 0 0 0 30 83 1 0 0 0 0 30 84 1 0 0 0 0 31 85 1 0 0 0 0 31 86 1 0 0 0 0 33 87 1 0 0 0 0 33 88 1 0 0 0 0 33 89 1 0 0 0 0 34 90 1 6 0 0 0 35 91 1 0 0 0 0 35 92 1 0 0 0 0 38 93 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 40 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 M END > <DATABASE_ID> NP0023448 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC1=C(C(=O)OC(=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]1([H])C(=C([H])[H])[C@]([H])(O[H])C([H])([H])[C@@]2([H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])OC(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(OC(=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]21C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C38H54O7/c1-10-23(2)15-13-11-12-14-16-33(40)44-31-17-20-38(9)30-22-29(39)25(4)28(21-27-34(41)24(3)26(5)43-35(27)42)37(30,8)19-18-32(38)45-36(31,6)7/h11-16,23,28-32,39,41H,4,10,17-22H2,1-3,5-9H3/b12-11+,15-13+,16-14+/t23-,28-,29-,30+,31+,32-,37+,38+/m1/s1 > <INCHI_KEY> NPVINQWQGDQAJA-CAGMGGGLSA-N > <FORMULA> C38H54O7 > <MOLECULAR_WEIGHT> 622.843 > <EXACT_MASS> 622.386954079 > <JCHEM_ACCEPTOR_COUNT> 5 > <JCHEM_ATOM_COUNT> 99 > <JCHEM_AVERAGE_POLARIZABILITY> 73.48470545516413 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 2 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3S,5aR,7aS,8S,10R,11aS,11bS)-10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxo-2H-pyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-tetradecahydronaphtho[2,1-b]oxepin-3-yl (2E,4E,6E,8R)-8-methyldeca-2,4,6-trienoate > <ALOGPS_LOGP> 7.05 > <JCHEM_LOGP> 7.327397591999999 > <ALOGPS_LOGS> -5.89 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 18.54731313296161 > <JCHEM_PKA_STRONGEST_ACIDIC> 7.555375420253015 > <JCHEM_PKA_STRONGEST_BASIC> -1.2467265863449586 > <JCHEM_POLAR_SURFACE_AREA> 102.29000000000002 > <JCHEM_REFRACTIVITY> 182.05090000000007 > <JCHEM_ROTATABLE_BOND_COUNT> 9 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 7.97e-04 g/l > <JCHEM_TRADITIONAL_IUPAC> (3S,5aR,7aS,8S,10R,11aS,11bS)-10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-decahydronaphtho[2,1-b]oxepin-3-yl (2E,4E,6E,8R)-8-methyldeca-2,4,6-trienoate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0023448 (NF00659A2)RDKit 3D 99102 0 0 0 0 0 0 0 0999 V2000 -6.6947 -1.2247 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5197 -0.6629 0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0617 -0.6070 2.3619 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5659 0.5598 2.9227 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5643 -0.7076 2.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 -1.1293 1.1192 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6672 -1.7509 1.1849 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9274 -3.0578 1.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6578 -1.0056 1.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4618 -0.3370 1.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5814 -1.2098 0.7764 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6621 -0.4141 0.3166 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 -0.3619 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1497 -1.0634 1.8983 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 0.4758 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 0.5125 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2729 1.3397 0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4389 1.3677 1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5231 2.2123 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6733 2.1900 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8056 3.0209 0.7071 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3961 3.7695 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9424 2.0434 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4217 1.1116 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 -2.1057 -0.3009 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1047 -3.5586 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9804 -2.0764 -1.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -1.6444 -0.7163 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -2.1843 -0.1920 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3702 -1.8740 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5765 -0.4023 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3052 -0.0968 0.1118 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0182 1.3191 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 -0.1542 -0.2211 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2977 1.1531 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7113 1.1472 -1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1223 0.6380 -2.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 0.0949 -3.3108 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4846 0.6723 -2.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9685 0.1310 -3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3705 1.2067 -1.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8406 1.2400 -2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9024 1.6743 -0.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6426 1.6711 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2705 2.1555 0.8286 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3021 -1.6254 1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0777 -1.2978 -0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5169 -1.4481 2.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4739 0.4587 3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1046 0.2169 2.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2876 -1.5175 3.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7272 -2.0087 0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5265 -3.9390 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9884 -3.2583 2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 -3.0305 2.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1866 -0.2053 2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 -1.6271 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 0.2754 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9573 0.3142 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 -1.7836 1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8524 1.1006 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 -0.1001 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1361 1.9719 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5795 0.7456 1.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3392 2.8131 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7593 1.5553 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1271 3.7616 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1075 3.0420 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5508 4.4490 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3015 4.3600 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8655 2.5528 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0819 1.4509 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3137 1.0474 -0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8628 0.0948 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7032 1.5213 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2103 -3.8132 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 -4.2279 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -3.6052 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 -2.7416 -1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2014 -1.0609 -1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3529 -2.5434 -2.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 -3.2987 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 -2.4869 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 -2.1109 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1187 -0.0548 -2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5973 0.1099 -1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6888 1.7129 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0962 2.0161 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 1.3874 0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8914 -0.9468 -1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 1.4130 -1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1363 2.0010 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2562 0.0990 -3.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8522 0.7541 -4.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3053 -0.9148 -3.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1958 0.3229 -4.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1108 0.3385 -2.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1362 2.1803 -2.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3541 1.1380 -1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 1 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 11 25 1 0 25 26 1 1 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 1 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 2 0 34 2 1 0 44 36 1 0 32 6 1 0 29 7 1 0 1 46 1 0 1 47 1 0 3 48 1 1 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 6 8 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 9 57 1 0 10 58 1 0 10 59 1 0 11 60 1 1 15 61 1 0 16 62 1 0 17 63 1 0 18 64 1 0 19 65 1 0 20 66 1 0 21 67 1 1 22 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 23 72 1 0 24 73 1 0 24 74 1 0 24 75 1 0 26 76 1 0 26 77 1 0 26 78 1 0 27 79 1 0 27 80 1 0 27 81 1 0 29 82 1 1 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 33 87 1 0 33 88 1 0 33 89 1 0 34 90 1 6 35 91 1 0 35 92 1 0 38 93 1 0 40 94 1 0 40 95 1 0 40 96 1 0 42 97 1 0 42 98 1 0 42 99 1 0 M END PDB for NP0023448 (NF00659A2)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 -6.695 -1.225 0.737 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.520 -0.663 0.947 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.062 -0.607 2.362 0.00 0.00 C+0 HETATM 4 O UNK 0 -5.566 0.560 2.923 0.00 0.00 O+0 HETATM 5 C UNK 0 -3.564 -0.708 2.485 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.041 -1.129 1.119 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.667 -1.751 1.185 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.927 -3.058 1.972 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.658 -1.006 1.955 0.00 0.00 C+0 HETATM 10 C UNK 0 0.462 -0.337 1.292 0.00 0.00 C+0 HETATM 11 C UNK 0 1.581 -1.210 0.776 0.00 0.00 C+0 HETATM 12 O UNK 0 2.662 -0.414 0.317 0.00 0.00 O+0 HETATM 13 C UNK 0 3.908 -0.362 0.886 0.00 0.00 C+0 HETATM 14 O UNK 0 4.150 -1.063 1.898 0.00 0.00 O+0 HETATM 15 C UNK 0 4.991 0.476 0.381 0.00 0.00 C+0 HETATM 16 C UNK 0 6.180 0.513 0.957 0.00 0.00 C+0 HETATM 17 C UNK 0 7.273 1.340 0.470 0.00 0.00 C+0 HETATM 18 C UNK 0 8.439 1.368 1.051 0.00 0.00 C+0 HETATM 19 C UNK 0 9.523 2.212 0.537 0.00 0.00 C+0 HETATM 20 C UNK 0 10.673 2.190 1.178 0.00 0.00 C+0 HETATM 21 C UNK 0 11.806 3.021 0.707 0.00 0.00 C+0 HETATM 22 C UNK 0 11.396 3.769 -0.545 0.00 0.00 C+0 HETATM 23 C UNK 0 12.942 2.043 0.387 0.00 0.00 C+0 HETATM 24 C UNK 0 12.422 1.112 -0.693 0.00 0.00 C+0 HETATM 25 C UNK 0 1.065 -2.106 -0.301 0.00 0.00 C+0 HETATM 26 C UNK 0 1.105 -3.559 0.129 0.00 0.00 C+0 HETATM 27 C UNK 0 1.980 -2.076 -1.540 0.00 0.00 C+0 HETATM 28 O UNK 0 -0.144 -1.644 -0.716 0.00 0.00 O+0 HETATM 29 C UNK 0 -1.274 -2.184 -0.192 0.00 0.00 C+0 HETATM 30 C UNK 0 -2.370 -1.874 -1.231 0.00 0.00 C+0 HETATM 31 C UNK 0 -2.576 -0.402 -1.184 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.305 -0.097 0.112 0.00 0.00 C+0 HETATM 33 C UNK 0 -3.018 1.319 0.565 0.00 0.00 C+0 HETATM 34 C UNK 0 -4.785 -0.154 -0.221 0.00 0.00 C+0 HETATM 35 C UNK 0 -5.298 1.153 -0.742 0.00 0.00 C+0 HETATM 36 C UNK 0 -6.711 1.147 -1.178 0.00 0.00 C+0 HETATM 37 C UNK 0 -7.122 0.638 -2.380 0.00 0.00 C+0 HETATM 38 O UNK 0 -6.231 0.095 -3.311 0.00 0.00 O+0 HETATM 39 C UNK 0 -8.485 0.672 -2.670 0.00 0.00 C+0 HETATM 40 C UNK 0 -8.969 0.131 -3.955 0.00 0.00 C+0 HETATM 41 C UNK 0 -9.370 1.207 -1.764 0.00 0.00 C+0 HETATM 42 C UNK 0 -10.841 1.240 -2.085 0.00 0.00 C+0 HETATM 43 O UNK 0 -8.902 1.674 -0.638 0.00 0.00 O+0 HETATM 44 C UNK 0 -7.643 1.671 -0.307 0.00 0.00 C+0 HETATM 45 O UNK 0 -7.271 2.155 0.829 0.00 0.00 O+0 HETATM 46 H UNK 0 -7.302 -1.625 1.535 0.00 0.00 H+0 HETATM 47 H UNK 0 -7.078 -1.298 -0.263 0.00 0.00 H+0 HETATM 48 H UNK 0 -5.517 -1.448 2.921 0.00 0.00 H+0 HETATM 49 H UNK 0 -6.474 0.459 3.257 0.00 0.00 H+0 HETATM 50 H UNK 0 -3.105 0.217 2.873 0.00 0.00 H+0 HETATM 51 H UNK 0 -3.288 -1.518 3.181 0.00 0.00 H+0 HETATM 52 H UNK 0 -3.727 -2.009 0.875 0.00 0.00 H+0 HETATM 53 H UNK 0 -1.527 -3.939 1.432 0.00 0.00 H+0 HETATM 54 H UNK 0 -2.988 -3.258 2.126 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.391 -3.030 2.941 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.187 -0.205 2.555 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.201 -1.627 2.791 0.00 0.00 H+0 HETATM 58 H UNK 0 0.118 0.275 0.441 0.00 0.00 H+0 HETATM 59 H UNK 0 0.957 0.314 2.077 0.00 0.00 H+0 HETATM 60 H UNK 0 1.947 -1.784 1.648 0.00 0.00 H+0 HETATM 61 H UNK 0 4.852 1.101 -0.492 0.00 0.00 H+0 HETATM 62 H UNK 0 6.348 -0.100 1.831 0.00 0.00 H+0 HETATM 63 H UNK 0 7.136 1.972 -0.418 0.00 0.00 H+0 HETATM 64 H UNK 0 8.579 0.746 1.925 0.00 0.00 H+0 HETATM 65 H UNK 0 9.339 2.813 -0.338 0.00 0.00 H+0 HETATM 66 H UNK 0 10.759 1.555 2.047 0.00 0.00 H+0 HETATM 67 H UNK 0 12.127 3.762 1.457 0.00 0.00 H+0 HETATM 68 H UNK 0 11.107 3.042 -1.317 0.00 0.00 H+0 HETATM 69 H UNK 0 10.551 4.449 -0.340 0.00 0.00 H+0 HETATM 70 H UNK 0 12.302 4.360 -0.861 0.00 0.00 H+0 HETATM 71 H UNK 0 13.866 2.553 0.083 0.00 0.00 H+0 HETATM 72 H UNK 0 13.082 1.451 1.328 0.00 0.00 H+0 HETATM 73 H UNK 0 11.314 1.047 -0.693 0.00 0.00 H+0 HETATM 74 H UNK 0 12.863 0.095 -0.537 0.00 0.00 H+0 HETATM 75 H UNK 0 12.703 1.521 -1.703 0.00 0.00 H+0 HETATM 76 H UNK 0 2.210 -3.813 0.128 0.00 0.00 H+0 HETATM 77 H UNK 0 0.591 -4.228 -0.559 0.00 0.00 H+0 HETATM 78 H UNK 0 0.818 -3.605 1.181 0.00 0.00 H+0 HETATM 79 H UNK 0 2.839 -2.742 -1.401 0.00 0.00 H+0 HETATM 80 H UNK 0 2.201 -1.061 -1.856 0.00 0.00 H+0 HETATM 81 H UNK 0 1.353 -2.543 -2.347 0.00 0.00 H+0 HETATM 82 H UNK 0 -1.176 -3.299 -0.273 0.00 0.00 H+0 HETATM 83 H UNK 0 -3.252 -2.487 -1.110 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.934 -2.111 -2.238 0.00 0.00 H+0 HETATM 85 H UNK 0 -3.119 -0.055 -2.083 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.597 0.110 -1.166 0.00 0.00 H+0 HETATM 87 H UNK 0 -3.689 1.713 1.320 0.00 0.00 H+0 HETATM 88 H UNK 0 -3.096 2.016 -0.309 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.939 1.387 0.855 0.00 0.00 H+0 HETATM 90 H UNK 0 -4.891 -0.947 -1.003 0.00 0.00 H+0 HETATM 91 H UNK 0 -4.684 1.413 -1.644 0.00 0.00 H+0 HETATM 92 H UNK 0 -5.136 2.001 -0.047 0.00 0.00 H+0 HETATM 93 H UNK 0 -5.256 0.099 -3.080 0.00 0.00 H+0 HETATM 94 H UNK 0 -9.852 0.754 -4.268 0.00 0.00 H+0 HETATM 95 H UNK 0 -9.305 -0.915 -3.903 0.00 0.00 H+0 HETATM 96 H UNK 0 -8.196 0.323 -4.722 0.00 0.00 H+0 HETATM 97 H UNK 0 -11.111 0.339 -2.684 0.00 0.00 H+0 HETATM 98 H UNK 0 -11.136 2.180 -2.549 0.00 0.00 H+0 HETATM 99 H UNK 0 -11.354 1.138 -1.107 0.00 0.00 H+0 CONECT 1 2 46 47 CONECT 2 1 3 34 CONECT 3 2 4 5 48 CONECT 4 3 49 CONECT 5 3 6 50 51 CONECT 6 5 7 32 52 CONECT 7 6 8 9 29 CONECT 8 7 53 54 55 CONECT 9 7 10 56 57 CONECT 10 9 11 58 59 CONECT 11 10 12 25 60 CONECT 12 11 13 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 61 CONECT 16 15 17 62 CONECT 17 16 18 63 CONECT 18 17 19 64 CONECT 19 18 20 65 CONECT 20 19 21 66 CONECT 21 20 22 23 67 CONECT 22 21 68 69 70 CONECT 23 21 24 71 72 CONECT 24 23 73 74 75 CONECT 25 11 26 27 28 CONECT 26 25 76 77 78 CONECT 27 25 79 80 81 CONECT 28 25 29 CONECT 29 28 30 7 82 CONECT 30 29 31 83 84 CONECT 31 30 32 85 86 CONECT 32 31 33 34 6 CONECT 33 32 87 88 89 CONECT 34 32 35 2 90 CONECT 35 34 36 91 92 CONECT 36 35 37 44 CONECT 37 36 38 39 CONECT 38 37 93 CONECT 39 37 40 41 CONECT 40 39 94 95 96 CONECT 41 39 42 43 CONECT 42 41 97 98 99 CONECT 43 41 44 CONECT 44 43 45 36 CONECT 45 44 CONECT 46 1 CONECT 47 1 CONECT 48 3 CONECT 49 4 CONECT 50 5 CONECT 51 5 CONECT 52 6 CONECT 53 8 CONECT 54 8 CONECT 55 8 CONECT 56 9 CONECT 57 9 CONECT 58 10 CONECT 59 10 CONECT 60 11 CONECT 61 15 CONECT 62 16 CONECT 63 17 CONECT 64 18 CONECT 65 19 CONECT 66 20 CONECT 67 21 CONECT 68 22 CONECT 69 22 CONECT 70 22 CONECT 71 23 CONECT 72 23 CONECT 73 24 CONECT 74 24 CONECT 75 24 CONECT 76 26 CONECT 77 26 CONECT 78 26 CONECT 79 27 CONECT 80 27 CONECT 81 27 CONECT 82 29 CONECT 83 30 CONECT 84 30 CONECT 85 31 CONECT 86 31 CONECT 87 33 CONECT 88 33 CONECT 89 33 CONECT 90 34 CONECT 91 35 CONECT 92 35 CONECT 93 38 CONECT 94 40 CONECT 95 40 CONECT 96 40 CONECT 97 42 CONECT 98 42 CONECT 99 42 MASTER 0 0 0 0 0 0 0 0 99 0 204 0 END SMILES for NP0023448 (NF00659A2)[H]OC1=C(C(=O)OC(=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]1([H])C(=C([H])[H])[C@]([H])(O[H])C([H])([H])[C@@]2([H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])OC(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(OC(=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]21C([H])([H])[H] INCHI for NP0023448 (NF00659A2)InChI=1S/C38H54O7/c1-10-23(2)15-13-11-12-14-16-33(40)44-31-17-20-38(9)30-22-29(39)25(4)28(21-27-34(41)24(3)26(5)43-35(27)42)37(30,8)19-18-32(38)45-36(31,6)7/h11-16,23,28-32,39,41H,4,10,17-22H2,1-3,5-9H3/b12-11+,15-13+,16-14+/t23-,28-,29-,30+,31+,32-,37+,38+/m1/s1 3D Structure for NP0023448 (NF00659A2) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C38H54O7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 622.8430 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 622.38695 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3S,5aR,7aS,8S,10R,11aS,11bS)-10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxo-2H-pyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-tetradecahydronaphtho[2,1-b]oxepin-3-yl (2E,4E,6E,8R)-8-methyldeca-2,4,6-trienoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3S,5aR,7aS,8S,10R,11aS,11bS)-10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylidene-decahydronaphtho[2,1-b]oxepin-3-yl (2E,4E,6E,8R)-8-methyldeca-2,4,6-trienoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCC(C)\C=C\C=C\C=C\C(=O)OC1CCC2(C)C(CCC3(C)C(CC4=C(O)C(C)=C(C)OC4=O)C(=C)C(O)CC23)OC1(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C38H54O7/c1-10-23(2)15-13-11-12-14-16-33(40)44-31-17-20-38(9)30-22-29(39)25(4)28(21-27-34(41)24(3)26(5)43-35(27)42)37(30,8)19-18-32(38)45-36(31,6)7/h11-16,23,28-32,39,41H,4,10,17-22H2,1-3,5-9H3/b12-11+,15-13+,16-14+ | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | NPVINQWQGDQAJA-CAGMGGGLSA-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 | NPA013938 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78444271 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 54705564 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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