HMDB0000619 RDKit 3D Cholic acid 69 72 0 0 0 0 0 0 0 0999 V2000 4.5608 -0.5811 2.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7007 -0.8609 0.8887 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4429 -1.5197 -0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6685 -0.8537 -0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4742 0.4649 -1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8643 1.5419 -0.6911 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8394 0.6027 -2.4853 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6561 0.1000 0.7877 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8255 1.5549 0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3725 2.0902 0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5405 0.8821 0.5220 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7843 0.9834 -0.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3923 -0.4233 -0.0019 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4971 -1.4084 -0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8664 -1.4865 -0.0426 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8222 -2.0168 1.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 -0.1325 -0.1502 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7459 0.2684 -1.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8037 -0.4845 -0.4151 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0110 -1.3687 -1.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6249 -1.0972 0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9925 -1.3486 0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6828 -0.1276 -0.3559 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3954 0.4452 0.7013 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8318 0.8703 -1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3843 0.8708 -0.7136 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0819 1.7942 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6148 1.9431 0.7196 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4139 1.6813 2.0784 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8234 -0.2812 2.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0589 -1.4861 2.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 0.2853 1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1124 -1.8189 1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8408 -1.8275 -1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8313 -2.5587 0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1142 -1.4895 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5099 -0.8783 0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0198 1.4106 -3.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0895 0.0175 1.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 1.9923 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2995 1.9493 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2499 2.8117 -0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1539 2.6247 1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 0.4905 1.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 1.3352 -1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 -0.6486 1.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3509 -1.2444 -1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9537 -2.4213 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4732 -2.1810 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -1.5088 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 1.1923 -1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 0.4443 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2008 -0.5685 -2.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2699 -1.1316 -2.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9701 -2.4341 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -1.1462 -2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1588 -2.0673 0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6088 -0.4931 1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9308 -2.1699 -0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5973 -1.7827 1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4756 -0.5048 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4109 -0.1009 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2269 1.9019 -0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9457 0.7916 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8032 1.2787 -1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 2.8111 0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6765 1.5491 1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2278 2.9606 0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3295 2.5125 2.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 2 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 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 6 13 19 1 0 19 20 1 6 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 17 8 1 0 26 19 1 0 17 11 1 0 28 12 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 1 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 7 38 1 0 8 39 1 1 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 1 12 45 1 6 13 46 1 1 14 47 1 0 14 48 1 0 15 49 1 6 16 50 1 0 18 51 1 0 18 52 1 0 18 53 1 0 20 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 22 60 1 0 23 61 1 6 24 62 1 0 25 63 1 0 25 64 1 0 26 65 1 6 27 66 1 0 27 67 1 0 28 68 1 1 29 69 1 0 M END