HMDB0246682 RDKit 3D 3alpha-Hydroxy-7-oxo-5beta-cholanic acid 66 69 0 0 0 0 0 0 0 0999 V2000 -5.1681 -0.4436 -1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8258 -1.0087 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1259 -1.4360 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6004 -0.2413 1.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9129 -0.6409 2.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7797 -1.8044 3.1755 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3595 0.3483 3.6263 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7609 0.0263 -0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5904 0.5432 -2.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1074 0.6722 -2.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 0.6908 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 0.7857 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 0.7577 -2.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 0.5926 -3.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2025 0.9457 -1.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 1.1506 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8769 1.2342 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3422 0.9882 1.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6080 2.1912 2.0462 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4935 0.1173 2.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 0.2863 1.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7513 0.0171 0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -1.2278 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -0.2000 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -0.0590 1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9844 -0.7031 0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -0.4988 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2372 -1.7208 -1.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9941 -1.0388 -0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2412 -0.5728 -2.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1955 0.6037 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5749 -1.9292 -1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0219 -2.1335 0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2909 -1.9763 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9187 0.5953 1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 0.1428 0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1253 1.3231 3.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9002 0.8966 -0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0705 -0.1245 -3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1118 1.5211 -2.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9277 1.6177 -3.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7248 -0.1596 -3.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 1.5841 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0485 1.7900 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -0.0048 -1.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6463 1.8252 -2.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 2.0957 0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4526 0.6390 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1777 2.3009 -0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3533 0.4890 1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3678 2.6227 1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6786 0.3935 3.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 -0.9486 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6248 1.2550 2.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5537 -0.5371 2.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6615 -1.0091 0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2232 -1.6078 -0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -2.0194 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2515 -1.2530 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1606 1.0235 1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5829 -0.5380 2.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -1.8120 0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 -0.2945 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2372 -1.9126 -1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8811 -1.6387 -2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 -2.5719 -0.9308 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 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 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 0 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 0 12 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 19 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 0 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