HMDB0000415 RDKit 3D 3a,6b,7b-Trihydroxy-5b-cholanoic acid 69 72 0 0 0 0 0 0 0 0999 V2000 3.9889 1.5344 0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8559 0.2288 0.2463 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8972 -0.0777 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3173 -0.1221 -0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0199 1.1031 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5398 2.2284 -0.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2693 1.0768 0.6022 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5344 0.0316 -0.4595 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5716 -1.3663 -1.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -1.8122 -1.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 -0.6502 -0.7091 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9970 -0.9524 -0.2402 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6071 0.3742 0.1439 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7704 1.1730 1.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 1.0546 0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -0.1290 0.3764 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4767 -1.1893 1.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9788 0.0961 0.7308 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8510 -0.6767 2.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6661 1.3988 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3501 2.0177 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4866 1.1224 -0.4837 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9939 1.5366 -1.7295 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1883 -0.3275 -0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7544 -0.7023 -0.2719 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0718 -0.7781 -1.6344 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8914 -1.6502 -2.3919 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7718 -1.4851 -1.4438 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0451 -2.8440 -1.1715 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 2.4124 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8725 1.5343 1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 1.7376 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9471 -0.5757 1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8213 0.6453 -1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6645 -1.0694 -1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5998 -0.9931 0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 -0.4304 -1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4315 1.7088 1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3813 0.7627 -1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0973 -2.0671 -0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9355 -1.2839 -2.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8089 -1.9709 -2.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -2.7756 -0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 0.1601 -1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9554 -1.6703 0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7496 0.9465 -0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1912 1.0046 2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0269 2.2627 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1406 1.9657 0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0243 1.0780 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2761 -0.8970 2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -2.1981 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -1.1771 2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -0.1606 2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8325 -0.9624 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4376 -1.6374 1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4742 1.1847 1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9968 2.1294 1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 2.2751 -0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7909 2.9845 0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3234 1.3344 0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 2.4799 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5631 -0.8011 -1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7841 -0.8474 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7387 -1.7766 0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 0.1667 -2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 -1.2203 -3.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1648 -1.4978 -2.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -2.9744 -0.1725 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 1 13 18 1 0 18 19 1 1 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 26 28 1 0 28 29 1 0 16 8 1 0 25 18 1 0 16 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 6 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 6 12 45 1 1 13 46 1 6 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 17 51 1 0 17 52 1 0 17 53 1 0 19 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 21 59 1 0 21 60 1 0 22 61 1 1 23 62 1 0 24 63 1 0 24 64 1 0 25 65 1 1 26 66 1 6 27 67 1 0 28 68 1 6 29 69 1 0 M END