HMDB0035511 RDKit 3D Trametenolic acid B 81 84 0 0 0 0 0 0 0 0999 V2000 6.7973 1.8196 1.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9337 0.4686 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8349 -0.5131 1.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2533 0.1445 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3670 1.1052 -0.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 0.8217 -0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4948 -0.4754 -1.3092 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0101 -1.6586 -0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.6556 0.6107 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3863 -2.8223 -1.2744 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 -0.4314 -1.6879 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6403 -1.7346 -2.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 -2.0242 -1.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2115 -0.6447 -1.4501 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4936 0.1163 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3106 -0.6172 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6198 0.5862 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6528 1.6801 -0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7331 1.3229 -0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 -0.1144 -0.7041 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1089 -0.8401 0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9594 0.8843 0.6343 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7093 1.1051 2.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5803 2.0830 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0321 2.2146 0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8262 0.9736 -0.0749 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1248 1.1436 0.3523 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2413 -0.2221 0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5857 -0.2468 2.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9216 -1.4474 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8039 -0.3171 0.3137 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1143 -1.5421 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9863 -1.8753 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2485 2.5495 0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2838 1.8487 2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7127 2.0190 1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9900 -1.3792 1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4718 -0.8763 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8570 -0.1029 1.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3885 -0.8423 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5783 2.1218 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 1.1609 -1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6015 0.7282 0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4029 1.6831 -1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0535 -0.4418 -2.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0742 -3.7497 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 0.3423 -2.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2572 -2.5910 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6127 -1.6599 -3.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4025 -2.3612 -2.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.7487 -1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4909 -0.2407 -3.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 -0.1759 -3.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4559 1.2004 -2.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 2.1989 0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1148 2.4800 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9946 1.8878 -1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 1.7022 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -0.3027 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4003 -1.9046 0.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0595 -0.8870 1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6086 1.1198 2.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0375 2.1606 2.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1525 0.3769 2.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 3.0269 0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4652 1.9401 -1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4394 3.0270 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2356 2.4739 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7649 0.7210 -1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6598 1.5159 -0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 0.7325 2.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0562 -1.0650 2.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6828 -0.5178 2.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9508 -2.2542 0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3053 -1.8606 -0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9528 -1.2319 -0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7645 -0.4122 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8051 -2.4006 0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6496 -1.3763 1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4913 -2.2497 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3419 -2.6721 0.2595 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 2 0 8 10 1 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 6 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 1 17 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 20 11 1 0 31 22 1 0 20 14 1 0 33 16 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 6 10 46 1 0 11 47 1 6 12 48 1 0 12 49 1 0 13 50 1 0 13 51 1 0 15 52 1 0 15 53 1 0 15 54 1 0 18 55 1 0 18 56 1 0 19 57 1 0 19 58 1 0 21 59 1 0 21 60 1 0 21 61 1 0 23 62 1 0 23 63 1 0 23 64 1 0 24 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 26 69 1 6 27 70 1 0 29 71 1 0 29 72 1 0 29 73 1 0 30 74 1 0 30 75 1 0 30 76 1 0 31 77 1 6 32 78 1 0 32 79 1 0 33 80 1 0 33 81 1 0 M END