HMDB0039171 RDKit 3D 9alpha-(3-Methylbutanoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 56 57 0 0 0 0 0 0 0 0999 V2000 -0.6047 2.6939 1.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6285 1.8234 0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.7702 0.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5646 0.9624 1.3418 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8095 1.0764 0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8913 0.9995 -0.4745 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0366 1.2819 1.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7766 -0.0570 1.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0217 0.1824 2.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 -0.5851 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3327 -0.4895 0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5785 -0.7243 0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4881 -1.4726 1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 -1.8257 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 -2.8287 1.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 0.4186 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6925 1.8037 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0408 2.3379 -1.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 1.1591 -2.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 0.8026 -3.1248 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4016 0.5598 -1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -0.4312 -2.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 -1.7344 -2.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8771 0.1174 -4.1292 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2391 2.6457 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3872 3.4236 1.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 0.7274 -0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8373 1.7078 2.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 1.9715 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1193 -0.7863 2.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7913 0.9752 3.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8249 0.4954 1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3402 -0.7158 3.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1178 -1.0267 0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1211 0.2364 -0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -1.3722 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 -0.3305 2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3711 -1.3422 0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2772 -1.5378 -0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -0.8896 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5791 -1.2297 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1418 -2.8765 0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9651 -1.6352 -0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 -3.3524 2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9631 -2.7390 2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7329 -3.4393 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3261 0.3961 -0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5391 2.4592 0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 3.0818 -1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0529 2.7598 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0934 1.4813 -2.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0117 -0.5864 -2.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 -1.6242 -2.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3486 -2.2045 -3.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6269 -2.4589 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4161 0.9453 -4.0609 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 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 3 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 12 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 17 2 1 0 21 16 1 0 1 25 1 0 1 26 1 0 3 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 21 51 1 0 22 52 1 0 23 53 1 0 23 54 1 0 23 55 1 0 24 56 1 0 M END