HMDB0000308 RDKit 3D 3b-Hydroxy-5-cholenoic acid 65 68 0 0 0 0 0 0 0 0999 V2000 4.8251 0.9108 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6902 -0.0442 0.2545 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0662 -1.4186 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1974 -2.0064 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 -1.3753 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2076 -1.6098 -0.4288 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0447 -0.5262 1.5515 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4802 0.5198 -0.3474 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5133 0.7794 -1.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0284 0.9902 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3403 0.9411 -0.8668 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1080 0.7388 -0.8423 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7579 2.0714 -1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1373 2.1322 -0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 1.1790 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1672 1.4419 0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8270 0.1610 0.8015 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3044 -0.5417 -0.3309 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0566 -0.6958 1.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5942 -0.7505 1.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0476 -0.0808 0.3437 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1590 -1.1067 -0.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5926 0.2983 0.5050 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7751 -0.7580 1.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -0.2714 1.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 -0.1586 -0.1750 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9778 -1.3970 -0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 0.5414 -0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1938 1.3410 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3908 1.8082 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 -0.0205 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3912 -1.5079 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2499 -2.1692 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8752 -1.9109 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -3.1241 0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4006 0.4008 1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3562 1.5508 0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -0.0174 -2.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0728 1.7152 -2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 2.0261 -2.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 0.2408 -2.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6048 1.8720 -0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 0.0518 -1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 2.8636 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 2.3371 -2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 3.0761 -0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2318 2.1376 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 1.9114 -0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7835 0.4575 1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4709 0.1800 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5114 -1.7284 1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2817 -0.3559 2.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 -1.8194 1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0535 -0.3250 2.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3952 -0.5969 -1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -1.8935 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 -1.6802 -0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5745 1.2012 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 -0.8797 2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8735 -1.7249 0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2753 -0.9254 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6391 0.7320 1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7777 -1.5435 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8237 -2.3162 -0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0386 -1.3290 -1.6098 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 2 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 6 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 6 26 8 1 0 26 11 1 0 23 12 1 0 21 15 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 1 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 7 36 1 0 8 37 1 1 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 1 12 43 1 6 13 44 1 0 13 45 1 0 14 46 1 0 16 47 1 0 16 48 1 0 17 49 1 1 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 22 55 1 0 22 56 1 0 22 57 1 0 23 58 1 1 24 59 1 0 24 60 1 0 25 61 1 0 25 62 1 0 27 63 1 0 27 64 1 0 27 65 1 0 M END