HMDB0000460 RDKit 3D 7-Hydroxy-3-oxocholanoic acid 66 69 0 0 0 0 0 0 0 0999 V2000 3.8417 1.4419 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -0.0341 0.0368 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8919 -0.6997 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9854 -0.5995 0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4879 0.7004 0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0957 1.2494 2.0433 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4197 1.3523 0.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4303 -0.2752 -0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1975 -1.7705 -1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 -2.0485 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -0.9309 -0.4459 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1084 -0.8025 0.1326 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9624 -2.0488 -0.0074 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0753 -2.7101 1.2326 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2867 -1.8674 -0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9826 -0.5817 -0.4577 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1918 -0.6000 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8223 0.7433 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8929 0.9195 0.8804 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2263 1.8686 -0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7395 1.8491 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 0.5651 -0.0137 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0467 0.6793 1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 0.3371 -0.6496 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9368 1.5445 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4674 1.2792 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 0.2591 -0.3142 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1838 0.8461 1.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1048 1.9933 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6522 1.8557 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8105 1.7801 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4714 -0.4952 1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7738 -1.8234 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2433 -0.2621 -1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7119 -1.2315 1.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9051 -1.1866 0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6960 0.9787 -0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 0.1645 -1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7121 -1.9214 -2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 -2.4167 -0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -3.0350 -0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4955 -1.8896 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0843 -1.0715 -1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2008 -0.5297 1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3405 -2.7617 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -3.6923 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9639 -2.6731 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2127 -2.1620 -1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3911 -0.2701 -1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9583 -0.8727 1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8818 -1.3812 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5104 2.8202 0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7096 1.9876 -1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4614 2.0031 -1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2616 2.7180 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1599 1.2300 1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0818 -0.2747 2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9506 1.2595 1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -0.0426 -1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 2.1238 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3997 2.2393 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 2.2234 -1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 0.7791 -2.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8699 0.4097 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1743 0.7907 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2818 1.9706 0.9262 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 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 1 27 8 1 0 27 11 1 0 24 12 1 0 22 16 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 1 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 7 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 6 12 44 1 1 13 45 1 6 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 6 17 50 1 0 17 51 1 0 20 52 1 0 20 53 1 0 21 54 1 0 21 55 1 0 23 56 1 0 23 57 1 0 23 58 1 0 24 59 1 6 25 60 1 0 25 61 1 0 26 62 1 0 26 63 1 0 28 64 1 0 28 65 1 0 28 66 1 0 M END