HMDB0040670 RDKit 3D Acutilobin 44 46 0 0 0 0 0 0 0 0999 V2000 4.9507 1.3344 -1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1998 0.9524 -0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2846 0.4772 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6725 0.1329 1.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9323 0.3060 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 0.6038 -1.1604 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8901 -0.1899 0.8065 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5998 -0.3422 0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4308 0.4957 1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 0.3319 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6632 1.3311 0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8195 1.1650 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7793 2.1697 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 2.0329 -1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1091 0.8757 -1.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1859 0.7135 -2.5414 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2075 -0.0733 -1.8992 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0747 0.0464 -1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1154 -0.9281 -1.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9334 -0.8004 -0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 -1.8367 -0.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0841 -1.7599 0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -2.0582 1.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 -2.7800 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9135 1.7344 -2.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 0.4842 -2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 2.1751 -1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2118 1.0617 0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7744 -0.9597 2.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7823 0.4256 2.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5464 0.7099 2.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5505 -0.0185 -0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 1.5593 1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 0.1089 2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4703 2.2163 0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5582 3.0380 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6883 2.8217 -1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 -1.8408 -1.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 -1.7073 2.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -1.7080 1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5624 -3.1760 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8247 -2.7746 1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 -3.7736 0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 -2.5765 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 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 22 24 1 0 22 8 1 0 20 10 1 0 18 12 2 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 4 29 1 0 4 30 1 0 4 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 11 35 1 0 13 36 1 0 14 37 1 0 19 38 1 0 23 39 1 0 23 40 1 0 23 41 1 0 24 42 1 0 24 43 1 0 24 44 1 0 M END