Showing NP-Card for Tolypocladin G (NP0019155)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 04:44:31 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:30:12 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0019155 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Tolypocladin G | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Tolypocladin G is found in Tolypocladium. It was first documented in 2019 (PMID: 30702286). Based on a literature review very few articles have been published on Tolypocladin G. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0019155 (Tolypocladin G)Mrv1652307042107433D 96103 0 0 0 0 999 V2000 7.4324 0.7597 2.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7424 1.3111 1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2446 2.7047 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5841 0.6014 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 -0.8217 0.0359 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0746 -0.8319 0.9548 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 -0.9369 0.4929 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7035 -0.4172 -0.9173 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4136 -0.3588 -1.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 0.7653 -0.7535 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5486 1.0391 -1.4805 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3747 1.4328 -0.6386 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2442 0.5269 0.5817 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1909 -0.9397 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 0.8110 1.3801 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2236 2.2460 1.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 0.2434 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 0.0461 -0.3771 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -0.5676 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0808 -0.9967 -0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2168 -1.6187 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3223 -2.0778 -1.3304 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4195 -1.0987 -1.5492 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3863 -1.7021 -2.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0106 0.1692 -2.2107 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4760 -0.0303 -3.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2094 1.1162 -2.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0545 0.8858 -1.4934 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2707 -1.7957 0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2505 -1.3737 1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1271 -0.7557 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 -0.2526 1.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2593 -0.0267 3.1327 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8686 -0.0424 2.6425 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2022 0.4304 3.5269 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5045 0.1952 2.7464 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4707 0.8210 1.3954 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4895 2.2216 1.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.4760 0.6824 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8546 1.0777 1.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7394 -0.2837 1.3189 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5928 -1.3422 -1.7100 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1246 -2.7929 -1.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5942 -1.0177 -3.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8484 -1.2541 -1.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3514 0.8362 2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0075 1.3088 3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 -0.2891 2.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5536 3.4376 1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3761 3.0342 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2358 2.7979 1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8262 1.0594 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -1.3979 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 -2.0379 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1428 0.6014 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 1.5884 -0.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 0.2112 -2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 1.9149 -2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 1.4865 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 2.4507 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5489 -1.1160 -0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 -1.2990 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 -1.5907 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3034 2.3279 2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1656 2.8140 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 2.6729 2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5926 0.2943 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0057 -0.8438 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7553 -2.9868 -0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9417 -2.4758 -2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9730 -0.8351 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7471 -1.0726 -3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7557 -0.8665 -3.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2975 -0.1173 -4.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9188 0.8973 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8957 2.1695 -2.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9494 0.9087 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6672 0.9725 -3.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3873 1.1842 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1445 -2.2790 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2943 -1.5128 2.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5791 0.9060 3.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -0.9256 3.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 -1.0759 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2733 -0.2658 4.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1241 1.4316 3.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5311 -0.9275 2.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 0.5670 3.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2979 2.6400 1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 -0.8155 2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -2.8427 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6555 -3.2920 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3763 -3.3568 -2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4733 -1.5130 -3.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 0.0704 -3.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6962 -1.3935 -3.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 3 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 1 0 0 0 21 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 1 0 0 0 37 39 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 0 0 0 0 8 42 1 0 0 0 0 42 43 1 6 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 45 5 1 0 0 0 0 41 7 1 0 0 0 0 39 10 1 0 0 0 0 37 13 1 0 0 0 0 41 39 1 0 0 0 0 34 15 1 0 0 0 0 32 17 2 0 0 0 0 31 19 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 3 49 1 0 0 0 0 3 50 1 0 0 0 0 3 51 1 0 0 0 0 4 52 1 0 0 0 0 5 53 1 1 0 0 0 7 54 1 6 0 0 0 8 55 1 1 0 0 0 10 56 1 1 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 16 64 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 18 67 1 0 0 0 0 20 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 71 1 1 0 0 0 24 72 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 79 1 0 0 0 0 29 80 1 0 0 0 0 30 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 84 1 6 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 38 89 1 0 0 0 0 41 90 1 1 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 M END 3D MOL for NP0019155 (Tolypocladin G)RDKit 3D 96103 0 0 0 0 0 0 0 0999 V2000 7.4324 0.7597 2.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7424 1.3111 1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2446 2.7047 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5841 0.6014 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 -0.8217 0.0359 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0746 -0.8319 0.9548 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 -0.9369 0.4929 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7035 -0.4172 -0.9173 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4136 -0.3588 -1.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 0.7653 -0.7535 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5486 1.0391 -1.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3747 1.4328 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2442 0.5269 0.5817 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1909 -0.9397 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 0.8110 1.3801 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2236 2.2460 1.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 0.2434 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 0.0461 -0.3771 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -0.5676 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0808 -0.9967 -0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2168 -1.6187 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3223 -2.0778 -1.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4195 -1.0987 -1.5492 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3863 -1.7021 -2.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0106 0.1692 -2.2107 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4760 -0.0303 -3.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2094 1.1162 -2.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0545 0.8858 -1.4934 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2707 -1.7957 0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2505 -1.3737 1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1271 -0.7557 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 -0.2526 1.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2593 -0.0267 3.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8686 -0.0424 2.6425 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2022 0.4304 3.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 0.1952 2.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 0.8210 1.3954 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4895 2.2216 1.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.4760 0.6824 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8546 1.0777 1.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7394 -0.2837 1.3189 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5928 -1.3422 -1.7100 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1246 -2.7929 -1.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5942 -1.0177 -3.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8484 -1.2541 -1.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3514 0.8362 2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0075 1.3088 3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 -0.2891 2.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5536 3.4376 1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3761 3.0342 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2358 2.7979 1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8262 1.0594 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -1.3979 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 -2.0379 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1428 0.6014 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 1.5884 -0.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 0.2112 -2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 1.9149 -2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 1.4865 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 2.4507 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5489 -1.1160 -0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 -1.2990 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 -1.5907 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3034 2.3279 2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1656 2.8140 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 2.6729 2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5926 0.2943 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0057 -0.8438 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7553 -2.9868 -0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9417 -2.4758 -2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9730 -0.8351 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7471 -1.0726 -3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7557 -0.8665 -3.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2975 -0.1173 -4.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9188 0.8973 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8957 2.1695 -2.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9494 0.9087 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6672 0.9725 -3.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3873 1.1842 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1445 -2.2790 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2943 -1.5128 2.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5791 0.9060 3.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -0.9256 3.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 -1.0759 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2733 -0.2658 4.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1241 1.4316 3.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5311 -0.9275 2.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 0.5670 3.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2979 2.6400 1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 -0.8155 2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -2.8427 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6555 -3.2920 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3763 -3.3568 -2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4733 -1.5130 -3.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 0.0704 -3.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6962 -1.3935 -3.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 6 13 15 1 0 15 16 1 1 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 25 28 1 1 21 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 1 37 39 1 0 39 40 1 1 40 41 1 0 8 42 1 0 42 43 1 6 42 44 1 0 42 45 1 0 45 5 1 0 41 7 1 0 39 10 1 0 37 13 1 0 41 39 1 0 34 15 1 0 32 17 2 0 31 19 1 0 1 46 1 0 1 47 1 0 1 48 1 0 3 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 5 53 1 1 7 54 1 6 8 55 1 1 10 56 1 1 11 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 14 61 1 0 14 62 1 0 14 63 1 0 16 64 1 0 16 65 1 0 16 66 1 0 18 67 1 0 20 68 1 0 22 69 1 0 22 70 1 0 23 71 1 1 24 72 1 0 26 73 1 0 26 74 1 0 26 75 1 0 27 76 1 0 27 77 1 0 27 78 1 0 28 79 1 0 29 80 1 0 30 81 1 0 33 82 1 0 33 83 1 0 34 84 1 6 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 38 89 1 0 41 90 1 1 43 91 1 0 43 92 1 0 43 93 1 0 44 94 1 0 44 95 1 0 44 96 1 0 M END 3D SDF for NP0019155 (Tolypocladin G)Mrv1652307042107433D 96103 0 0 0 0 999 V2000 7.4324 0.7597 2.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7424 1.3111 1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2446 2.7047 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5841 0.6014 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 -0.8217 0.0359 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0746 -0.8319 0.9548 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 -0.9369 0.4929 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7035 -0.4172 -0.9173 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4136 -0.3588 -1.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 0.7653 -0.7535 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5486 1.0391 -1.4805 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3747 1.4328 -0.6386 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2442 0.5269 0.5817 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1909 -0.9397 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 0.8110 1.3801 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2236 2.2460 1.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 0.2434 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 0.0461 -0.3771 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -0.5676 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0808 -0.9967 -0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2168 -1.6187 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3223 -2.0778 -1.3304 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4195 -1.0987 -1.5492 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3863 -1.7021 -2.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0106 0.1692 -2.2107 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4760 -0.0303 -3.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2094 1.1162 -2.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0545 0.8858 -1.4934 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2707 -1.7957 0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2505 -1.3737 1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1271 -0.7557 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 -0.2526 1.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2593 -0.0267 3.1327 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8686 -0.0424 2.6425 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2022 0.4304 3.5269 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5045 0.1952 2.7464 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4707 0.8210 1.3954 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4895 2.2216 1.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.4760 0.6824 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8546 1.0777 1.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7394 -0.2837 1.3189 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5928 -1.3422 -1.7100 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1246 -2.7929 -1.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5942 -1.0177 -3.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8484 -1.2541 -1.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3514 0.8362 2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0075 1.3088 3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 -0.2891 2.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5536 3.4376 1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3761 3.0342 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2358 2.7979 1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8262 1.0594 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -1.3979 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 -2.0379 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1428 0.6014 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 1.5884 -0.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 0.2112 -2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 1.9149 -2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 1.4865 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 2.4507 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5489 -1.1160 -0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 -1.2990 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 -1.5907 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3034 2.3279 2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1656 2.8140 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 2.6729 2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5926 0.2943 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0057 -0.8438 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7553 -2.9868 -0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9417 -2.4758 -2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9730 -0.8351 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7471 -1.0726 -3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7557 -0.8665 -3.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2975 -0.1173 -4.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9188 0.8973 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8957 2.1695 -2.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9494 0.9087 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6672 0.9725 -3.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3873 1.1842 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1445 -2.2790 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2943 -1.5128 2.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5791 0.9060 3.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -0.9256 3.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 -1.0759 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2733 -0.2658 4.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1241 1.4316 3.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5311 -0.9275 2.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 0.5670 3.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2979 2.6400 1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 -0.8155 2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -2.8427 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6555 -3.2920 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3763 -3.3568 -2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4733 -1.5130 -3.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 0.0704 -3.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6962 -1.3935 -3.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 3 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 1 0 0 0 21 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 1 0 0 0 37 39 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 0 0 0 0 8 42 1 0 0 0 0 42 43 1 6 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 45 5 1 0 0 0 0 41 7 1 0 0 0 0 39 10 1 0 0 0 0 37 13 1 0 0 0 0 41 39 1 0 0 0 0 34 15 1 0 0 0 0 32 17 2 0 0 0 0 31 19 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 3 49 1 0 0 0 0 3 50 1 0 0 0 0 3 51 1 0 0 0 0 4 52 1 0 0 0 0 5 53 1 1 0 0 0 7 54 1 6 0 0 0 8 55 1 1 0 0 0 10 56 1 1 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 16 64 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 18 67 1 0 0 0 0 20 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 71 1 1 0 0 0 24 72 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 79 1 0 0 0 0 29 80 1 0 0 0 0 30 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 84 1 6 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 38 89 1 0 0 0 0 41 90 1 1 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 M END > <DATABASE_ID> NP0019155 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@@]([H])(C([H])([H])C1=C([H])C([H])=C2C(N([H])C3=C2C([H])([H])[C@]2([H])C([H])([H])C([H])([H])[C@@]4(O[H])[C@@]56O[C@]5([H])[C@]5([H])O[C@@]([H])(OC(C([H])([H])[H])(C([H])([H])[H])[C@@]5([H])O[C@@]6([H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]32C([H])([H])[H])C([H])=C(C([H])([H])[H])C([H])([H])[H])=C1[H])C(O[H])(C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C37H51NO7/c1-19(2)15-27-43-28-30(33(5,6)44-27)42-26-12-13-34(7)35(8)21(11-14-36(34,41)37(26)31(28)45-37)18-23-22-10-9-20(16-24(22)38-29(23)35)17-25(39)32(3,4)40/h9-10,15-16,21,25-28,30-31,38-41H,11-14,17-18H2,1-8H3/t21-,25-,26-,27-,28+,30-,31+,34+,35+,36-,37-/m0/s1 > <INCHI_KEY> LSIZNUFKUJUHND-VKCNXYGBSA-N > <FORMULA> C37H51NO7 > <MOLECULAR_WEIGHT> 621.815 > <EXACT_MASS> 621.366552986 > <JCHEM_ACCEPTOR_COUNT> 7 > <JCHEM_ATOM_COUNT> 96 > <JCHEM_AVERAGE_POLARIZABILITY> 71.34383001517975 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 4 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2S)-1-[(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-16-hydroxy-1,2,24,24-tetramethyl-22-(2-methylprop-1-en-1-yl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.0^{2,13}.0^{3,11}.0^{5,10}.0^{17,19}.0^{17,27}.0^{20,25}]nonacosa-3(11),5,7,9-tetraen-7-yl]-3-methylbutane-2,3-diol > <ALOGPS_LOGP> 4.38 > <JCHEM_LOGP> 5.042782100666665 > <ALOGPS_LOGS> -5.68 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 8 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 13.85090251392933 > <JCHEM_PKA_STRONGEST_ACIDIC> 13.066246900941376 > <JCHEM_PKA_STRONGEST_BASIC> -3.0939952445255194 > <JCHEM_POLAR_SURFACE_AREA> 116.70000000000002 > <JCHEM_REFRACTIVITY> 170.18430000000004 > <JCHEM_ROTATABLE_BOND_COUNT> 4 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.31e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (2S)-1-[(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-16-hydroxy-1,2,24,24-tetramethyl-22-(2-methylprop-1-en-1-yl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.0^{2,13}.0^{3,11}.0^{5,10}.0^{17,19}.0^{17,27}.0^{20,25}]nonacosa-3(11),5,7,9-tetraen-7-yl]-3-methylbutane-2,3-diol > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0019155 (Tolypocladin G)RDKit 3D 96103 0 0 0 0 0 0 0 0999 V2000 7.4324 0.7597 2.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7424 1.3111 1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2446 2.7047 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5841 0.6014 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 -0.8217 0.0359 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0746 -0.8319 0.9548 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 -0.9369 0.4929 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7035 -0.4172 -0.9173 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4136 -0.3588 -1.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 0.7653 -0.7535 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5486 1.0391 -1.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3747 1.4328 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2442 0.5269 0.5817 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1909 -0.9397 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 0.8110 1.3801 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2236 2.2460 1.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 0.2434 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 0.0461 -0.3771 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -0.5676 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0808 -0.9967 -0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2168 -1.6187 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3223 -2.0778 -1.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4195 -1.0987 -1.5492 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3863 -1.7021 -2.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0106 0.1692 -2.2107 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4760 -0.0303 -3.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2094 1.1162 -2.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0545 0.8858 -1.4934 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2707 -1.7957 0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2505 -1.3737 1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1271 -0.7557 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 -0.2526 1.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2593 -0.0267 3.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8686 -0.0424 2.6425 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2022 0.4304 3.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 0.1952 2.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 0.8210 1.3954 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4895 2.2216 1.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.4760 0.6824 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8546 1.0777 1.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7394 -0.2837 1.3189 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5928 -1.3422 -1.7100 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1246 -2.7929 -1.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5942 -1.0177 -3.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8484 -1.2541 -1.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3514 0.8362 2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0075 1.3088 3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 -0.2891 2.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5536 3.4376 1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3761 3.0342 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2358 2.7979 1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8262 1.0594 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -1.3979 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 -2.0379 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1428 0.6014 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 1.5884 -0.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 0.2112 -2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 1.9149 -2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 1.4865 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 2.4507 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5489 -1.1160 -0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 -1.2990 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 -1.5907 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3034 2.3279 2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1656 2.8140 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 2.6729 2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5926 0.2943 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0057 -0.8438 -2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7553 -2.9868 -0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9417 -2.4758 -2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9730 -0.8351 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7471 -1.0726 -3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7557 -0.8665 -3.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2975 -0.1173 -4.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9188 0.8973 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8957 2.1695 -2.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9494 0.9087 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6672 0.9725 -3.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3873 1.1842 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1445 -2.2790 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2943 -1.5128 2.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5791 0.9060 3.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -0.9256 3.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 -1.0759 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2733 -0.2658 4.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1241 1.4316 3.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5311 -0.9275 2.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 0.5670 3.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2979 2.6400 1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 -0.8155 2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -2.8427 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6555 -3.2920 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3763 -3.3568 -2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4733 -1.5130 -3.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 0.0704 -3.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6962 -1.3935 -3.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 6 13 15 1 0 15 16 1 1 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 25 28 1 1 21 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 1 37 39 1 0 39 40 1 1 40 41 1 0 8 42 1 0 42 43 1 6 42 44 1 0 42 45 1 0 45 5 1 0 41 7 1 0 39 10 1 0 37 13 1 0 41 39 1 0 34 15 1 0 32 17 2 0 31 19 1 0 1 46 1 0 1 47 1 0 1 48 1 0 3 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 5 53 1 1 7 54 1 6 8 55 1 1 10 56 1 1 11 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 14 61 1 0 14 62 1 0 14 63 1 0 16 64 1 0 16 65 1 0 16 66 1 0 18 67 1 0 20 68 1 0 22 69 1 0 22 70 1 0 23 71 1 1 24 72 1 0 26 73 1 0 26 74 1 0 26 75 1 0 27 76 1 0 27 77 1 0 27 78 1 0 28 79 1 0 29 80 1 0 30 81 1 0 33 82 1 0 33 83 1 0 34 84 1 6 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 38 89 1 0 41 90 1 1 43 91 1 0 43 92 1 0 43 93 1 0 44 94 1 0 44 95 1 0 44 96 1 0 M END PDB for NP0019155 (Tolypocladin G)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 7.432 0.760 2.417 0.00 0.00 C+0 HETATM 2 C UNK 0 7.742 1.311 1.068 0.00 0.00 C+0 HETATM 3 C UNK 0 8.245 2.705 0.985 0.00 0.00 C+0 HETATM 4 C UNK 0 7.584 0.601 -0.043 0.00 0.00 C+0 HETATM 5 C UNK 0 7.072 -0.822 0.036 0.00 0.00 C+0 HETATM 6 O UNK 0 6.075 -0.832 0.955 0.00 0.00 O+0 HETATM 7 C UNK 0 4.793 -0.937 0.493 0.00 0.00 C+0 HETATM 8 C UNK 0 4.704 -0.417 -0.917 0.00 0.00 C+0 HETATM 9 O UNK 0 3.414 -0.359 -1.375 0.00 0.00 O+0 HETATM 10 C UNK 0 2.808 0.765 -0.754 0.00 0.00 C+0 HETATM 11 C UNK 0 1.549 1.039 -1.480 0.00 0.00 C+0 HETATM 12 C UNK 0 0.375 1.433 -0.639 0.00 0.00 C+0 HETATM 13 C UNK 0 0.244 0.527 0.582 0.00 0.00 C+0 HETATM 14 C UNK 0 0.191 -0.940 0.165 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.968 0.811 1.380 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.224 2.246 1.683 0.00 0.00 C+0 HETATM 17 C UNK 0 -2.230 0.243 0.791 0.00 0.00 C+0 HETATM 18 N UNK 0 -2.876 0.046 -0.377 0.00 0.00 N+0 HETATM 19 C UNK 0 -4.047 -0.568 -0.129 0.00 0.00 C+0 HETATM 20 C UNK 0 -5.081 -0.997 -0.957 0.00 0.00 C+0 HETATM 21 C UNK 0 -6.217 -1.619 -0.479 0.00 0.00 C+0 HETATM 22 C UNK 0 -7.322 -2.078 -1.330 0.00 0.00 C+0 HETATM 23 C UNK 0 -8.419 -1.099 -1.549 0.00 0.00 C+0 HETATM 24 O UNK 0 -9.386 -1.702 -2.385 0.00 0.00 O+0 HETATM 25 C UNK 0 -8.011 0.169 -2.211 0.00 0.00 C+0 HETATM 26 C UNK 0 -7.476 -0.030 -3.611 0.00 0.00 C+0 HETATM 27 C UNK 0 -9.209 1.116 -2.354 0.00 0.00 C+0 HETATM 28 O UNK 0 -7.054 0.886 -1.493 0.00 0.00 O+0 HETATM 29 C UNK 0 -6.271 -1.796 0.902 0.00 0.00 C+0 HETATM 30 C UNK 0 -5.250 -1.374 1.732 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.127 -0.756 1.234 0.00 0.00 C+0 HETATM 32 C UNK 0 -2.993 -0.253 1.833 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.259 -0.027 3.133 0.00 0.00 C+0 HETATM 34 C UNK 0 -0.869 -0.042 2.643 0.00 0.00 C+0 HETATM 35 C UNK 0 0.202 0.430 3.527 0.00 0.00 C+0 HETATM 36 C UNK 0 1.504 0.195 2.746 0.00 0.00 C+0 HETATM 37 C UNK 0 1.471 0.821 1.395 0.00 0.00 C+0 HETATM 38 O UNK 0 1.490 2.222 1.590 0.00 0.00 O+0 HETATM 39 C UNK 0 2.743 0.476 0.682 0.00 0.00 C+0 HETATM 40 O UNK 0 3.855 1.078 1.472 0.00 0.00 O+0 HETATM 41 C UNK 0 3.739 -0.284 1.319 0.00 0.00 C+0 HETATM 42 C UNK 0 5.593 -1.342 -1.710 0.00 0.00 C+0 HETATM 43 C UNK 0 5.125 -2.793 -1.581 0.00 0.00 C+0 HETATM 44 C UNK 0 5.594 -1.018 -3.186 0.00 0.00 C+0 HETATM 45 O UNK 0 6.848 -1.254 -1.208 0.00 0.00 O+0 HETATM 46 H UNK 0 6.351 0.836 2.606 0.00 0.00 H+0 HETATM 47 H UNK 0 8.008 1.309 3.174 0.00 0.00 H+0 HETATM 48 H UNK 0 7.803 -0.289 2.429 0.00 0.00 H+0 HETATM 49 H UNK 0 7.554 3.438 1.444 0.00 0.00 H+0 HETATM 50 H UNK 0 8.376 3.034 -0.076 0.00 0.00 H+0 HETATM 51 H UNK 0 9.236 2.798 1.487 0.00 0.00 H+0 HETATM 52 H UNK 0 7.826 1.059 -0.981 0.00 0.00 H+0 HETATM 53 H UNK 0 7.938 -1.398 0.473 0.00 0.00 H+0 HETATM 54 H UNK 0 4.551 -2.038 0.440 0.00 0.00 H+0 HETATM 55 H UNK 0 5.143 0.601 -1.012 0.00 0.00 H+0 HETATM 56 H UNK 0 3.561 1.588 -0.946 0.00 0.00 H+0 HETATM 57 H UNK 0 1.284 0.211 -2.206 0.00 0.00 H+0 HETATM 58 H UNK 0 1.720 1.915 -2.180 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.519 1.486 -1.247 0.00 0.00 H+0 HETATM 60 H UNK 0 0.601 2.451 -0.223 0.00 0.00 H+0 HETATM 61 H UNK 0 0.549 -1.116 -0.847 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.880 -1.299 0.187 0.00 0.00 H+0 HETATM 63 H UNK 0 0.768 -1.591 0.846 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.303 2.328 2.008 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.166 2.814 0.740 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.637 2.673 2.499 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.593 0.294 -1.354 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.006 -0.844 -2.044 0.00 0.00 H+0 HETATM 69 H UNK 0 -7.755 -2.987 -0.818 0.00 0.00 H+0 HETATM 70 H UNK 0 -6.942 -2.476 -2.300 0.00 0.00 H+0 HETATM 71 H UNK 0 -8.973 -0.835 -0.624 0.00 0.00 H+0 HETATM 72 H UNK 0 -9.747 -1.073 -3.046 0.00 0.00 H+0 HETATM 73 H UNK 0 -6.756 -0.867 -3.684 0.00 0.00 H+0 HETATM 74 H UNK 0 -8.297 -0.117 -4.357 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.919 0.897 -3.868 0.00 0.00 H+0 HETATM 76 H UNK 0 -8.896 2.170 -2.252 0.00 0.00 H+0 HETATM 77 H UNK 0 -9.949 0.909 -1.562 0.00 0.00 H+0 HETATM 78 H UNK 0 -9.667 0.973 -3.368 0.00 0.00 H+0 HETATM 79 H UNK 0 -7.387 1.184 -0.608 0.00 0.00 H+0 HETATM 80 H UNK 0 -7.144 -2.279 1.315 0.00 0.00 H+0 HETATM 81 H UNK 0 -5.294 -1.513 2.812 0.00 0.00 H+0 HETATM 82 H UNK 0 -2.579 0.906 3.618 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.438 -0.926 3.764 0.00 0.00 H+0 HETATM 84 H UNK 0 -0.626 -1.076 2.302 0.00 0.00 H+0 HETATM 85 H UNK 0 0.273 -0.266 4.405 0.00 0.00 H+0 HETATM 86 H UNK 0 0.124 1.432 3.925 0.00 0.00 H+0 HETATM 87 H UNK 0 1.531 -0.928 2.616 0.00 0.00 H+0 HETATM 88 H UNK 0 2.370 0.567 3.290 0.00 0.00 H+0 HETATM 89 H UNK 0 2.298 2.640 1.257 0.00 0.00 H+0 HETATM 90 H UNK 0 3.533 -0.816 2.270 0.00 0.00 H+0 HETATM 91 H UNK 0 4.024 -2.843 -1.457 0.00 0.00 H+0 HETATM 92 H UNK 0 5.656 -3.292 -0.737 0.00 0.00 H+0 HETATM 93 H UNK 0 5.376 -3.357 -2.502 0.00 0.00 H+0 HETATM 94 H UNK 0 6.473 -1.513 -3.626 0.00 0.00 H+0 HETATM 95 H UNK 0 5.752 0.070 -3.288 0.00 0.00 H+0 HETATM 96 H UNK 0 4.696 -1.393 -3.690 0.00 0.00 H+0 CONECT 1 2 46 47 48 CONECT 2 1 3 4 CONECT 3 2 49 50 51 CONECT 4 2 5 52 CONECT 5 4 6 45 53 CONECT 6 5 7 CONECT 7 6 8 41 54 CONECT 8 7 9 42 55 CONECT 9 8 10 CONECT 10 9 11 39 56 CONECT 11 10 12 57 58 CONECT 12 11 13 59 60 CONECT 13 12 14 15 37 CONECT 14 13 61 62 63 CONECT 15 13 16 17 34 CONECT 16 15 64 65 66 CONECT 17 15 18 32 CONECT 18 17 19 67 CONECT 19 18 20 31 CONECT 20 19 21 68 CONECT 21 20 22 29 CONECT 22 21 23 69 70 CONECT 23 22 24 25 71 CONECT 24 23 72 CONECT 25 23 26 27 28 CONECT 26 25 73 74 75 CONECT 27 25 76 77 78 CONECT 28 25 79 CONECT 29 21 30 80 CONECT 30 29 31 81 CONECT 31 30 32 19 CONECT 32 31 33 17 CONECT 33 32 34 82 83 CONECT 34 33 35 15 84 CONECT 35 34 36 85 86 CONECT 36 35 37 87 88 CONECT 37 36 38 39 13 CONECT 38 37 89 CONECT 39 37 40 10 41 CONECT 40 39 41 CONECT 41 40 7 39 90 CONECT 42 8 43 44 45 CONECT 43 42 91 92 93 CONECT 44 42 94 95 96 CONECT 45 42 5 CONECT 46 1 CONECT 47 1 CONECT 48 1 CONECT 49 3 CONECT 50 3 CONECT 51 3 CONECT 52 4 CONECT 53 5 CONECT 54 7 CONECT 55 8 CONECT 56 10 CONECT 57 11 CONECT 58 11 CONECT 59 12 CONECT 60 12 CONECT 61 14 CONECT 62 14 CONECT 63 14 CONECT 64 16 CONECT 65 16 CONECT 66 16 CONECT 67 18 CONECT 68 20 CONECT 69 22 CONECT 70 22 CONECT 71 23 CONECT 72 24 CONECT 73 26 CONECT 74 26 CONECT 75 26 CONECT 76 27 CONECT 77 27 CONECT 78 27 CONECT 79 28 CONECT 80 29 CONECT 81 30 CONECT 82 33 CONECT 83 33 CONECT 84 34 CONECT 85 35 CONECT 86 35 CONECT 87 36 CONECT 88 36 CONECT 89 38 CONECT 90 41 CONECT 91 43 CONECT 92 43 CONECT 93 43 CONECT 94 44 CONECT 95 44 CONECT 96 44 MASTER 0 0 0 0 0 0 0 0 96 0 206 0 END SMILES for NP0019155 (Tolypocladin G)[H]O[C@@]([H])(C([H])([H])C1=C([H])C([H])=C2C(N([H])C3=C2C([H])([H])[C@]2([H])C([H])([H])C([H])([H])[C@@]4(O[H])[C@@]56O[C@]5([H])[C@]5([H])O[C@@]([H])(OC(C([H])([H])[H])(C([H])([H])[H])[C@@]5([H])O[C@@]6([H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]32C([H])([H])[H])C([H])=C(C([H])([H])[H])C([H])([H])[H])=C1[H])C(O[H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0019155 (Tolypocladin G)InChI=1S/C37H51NO7/c1-19(2)15-27-43-28-30(33(5,6)44-27)42-26-12-13-34(7)35(8)21(11-14-36(34,41)37(26)31(28)45-37)18-23-22-10-9-20(16-24(22)38-29(23)35)17-25(39)32(3,4)40/h9-10,15-16,21,25-28,30-31,38-41H,11-14,17-18H2,1-8H3/t21-,25-,26-,27-,28+,30-,31+,34+,35+,36-,37-/m0/s1 3D Structure for NP0019155 (Tolypocladin G) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C37H51NO7 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 621.8150 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 621.36655 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2S)-1-[(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-16-hydroxy-1,2,24,24-tetramethyl-22-(2-methylprop-1-en-1-yl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.0^{2,13}.0^{3,11}.0^{5,10}.0^{17,19}.0^{17,27}.0^{20,25}]nonacosa-3(11),5,7,9-tetraen-7-yl]-3-methylbutane-2,3-diol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2S)-1-[(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-16-hydroxy-1,2,24,24-tetramethyl-22-(2-methylprop-1-en-1-yl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.0^{2,13}.0^{3,11}.0^{5,10}.0^{17,19}.0^{17,27}.0^{20,25}]nonacosa-3(11),5,7,9-tetraen-7-yl]-3-methylbutane-2,3-diol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)=C[C@H]1O[C@H]2[C@H]3O[C@@]33[C@H](CC[C@]4(C)[C@]5(C)[C@H](CC6=C5NC5=C6C=CC(C[C@H](O)C(C)(C)O)=C5)CC[C@@]34O)O[C@@H]2C(C)(C)O1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C37H51NO7/c1-19(2)15-27-43-28-30(33(5,6)44-27)42-26-12-13-34(7)35(8)21(11-14-36(34,41)37(26)31(28)45-37)18-23-22-10-9-20(16-24(22)38-29(23)35)17-25(39)32(3,4)40/h9-10,15-16,21,25-28,30-31,38-41H,11-14,17-18H2,1-8H3/t21-,25-,26-,27-,28+,30-,31+,34+,35+,36-,37-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | LSIZNUFKUJUHND-VKCNXYGBSA-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 | NPA025021 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 145720795 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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