HMDB0247018 RDKit 3D 5beta-Cholanic acid 66 69 0 0 0 0 0 0 0 0999 V2000 4.7101 1.0957 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 0.1935 -0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2763 -1.1158 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4674 -1.0843 0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 -0.6052 2.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 -0.2854 2.6033 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2657 -0.4922 3.1205 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 0.2222 -1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 1.7060 -1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9545 1.8315 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 0.4241 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 0.2140 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 1.5438 1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5301 1.8683 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 0.7622 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9079 1.0127 0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6565 -0.1343 1.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7381 -1.1770 1.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6385 -1.6256 0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9986 -0.4864 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7311 -0.5532 -1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5164 -0.6350 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 -0.5901 -1.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2105 -0.1609 -1.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2153 -0.4153 -0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 -1.8909 -0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6724 0.5621 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 1.9856 -0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4285 1.3907 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4269 0.6855 0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5187 -1.7226 0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5977 -1.6625 -0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -2.1536 0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3704 -0.6038 0.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 -0.0501 2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8444 -0.0751 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8464 2.0375 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 2.3712 -1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3252 2.5147 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0916 2.2253 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4672 0.3490 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -0.3419 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6209 2.4056 1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6692 1.5540 2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 1.9255 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8559 2.8681 0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3564 0.5694 1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1438 1.9966 0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2466 1.1290 -0.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 0.3205 2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4774 -0.5259 0.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3841 -0.9098 2.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3879 -2.0857 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7967 -2.0049 1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9028 -2.4806 0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 -1.3444 -2.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8028 -0.8596 -1.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8171 0.4380 -1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 -1.7132 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3155 -1.6114 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8692 0.0567 -2.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2177 0.8680 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -0.7742 -2.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4257 -2.4354 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2076 -2.2603 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1327 -2.2603 -1.2948 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 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 8 1 0 25 11 1 0 22 12 1 0 20 15 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 21 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 23 60 1 0 23 61 1 0 24 62 1 0 24 63 1 0 26 64 1 0 26 65 1 0 26 66 1 0 M END