ACD/Labs09092109082D 34 37 0 0 1 0 0 0 0 0 1 V2000 9.5014 -15.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 -15.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5014 -17.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8049 -17.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6533 -15.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8049 -13.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9568 -13.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3735 -15.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1552 -14.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6533 -14.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8049 -15.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8049 -16.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9568 -15.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9568 -14.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1086 -15.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1086 -13.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1086 -12.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1086 -16.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6770 -12.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5252 -11.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3272 -11.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3735 -12.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3735 -13.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5252 -12.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 -17.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1978 -17.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9568 -17.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1086 -17.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6533 -17.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6533 -18.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8286 -11.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9804 -12.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4852 -14.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8286 -10.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15 16 1 0 0 0 0 16 23 1 0 0 0 0 16 7 1 0 0 0 0 13 15 1 0 0 0 0 15 8 1 0 0 0 0 11 6 1 0 0 0 0 5 11 1 0 0 0 0 11 13 1 0 0 0 0 13 27 1 0 0 0 0 29 5 1 0 0 0 0 5 10 1 1 0 0 0 5 1 1 0 0 0 0 23 9 1 0 0 0 0 6 7 1 0 0 0 0 9 8 1 0 0 0 0 4 27 1 0 0 0 0 29 3 1 0 0 0 0 29 4 1 0 0 0 0 2 1 1 0 0 0 0 25 3 1 0 0 0 0 25 2 1 0 0 0 0 11 12 1 6 0 0 0 13 14 1 1 0 0 0 15 18 1 6 0 0 0 16 17 1 1 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 22 21 1 6 0 0 0 23 24 1 6 0 0 0 25 26 1 6 0 0 0 27 28 1 6 0 0 0 29 30 1 1 0 0 0 31 32 1 0 0 0 0 9 33 1 6 0 0 0 31 34 2 0 0 0 0 M END > CHEBI:81261 > avicholic acid > A trihydroxy-5β-cholanic acid that is 5β-cholan-24-oic acid substituted by hydroxy groups at positions 3, 7 and 16 (the 3α,7α,16α stereoisomer). It is a major constituent of the bile of several avian species. > 3 > Avicholic acid > 3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-24-oic acid > C24H40O5 > 408.579 > 408.28757 > 0 > [H][C@]1([C@H](C)CCC(O)=O)[C@H](O)C[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C > InChI=1S/C24H40O5/c1-13(4-5-20(28)29)22-19(27)12-17-21-16(7-9-24(17,22)3)23(2)8-6-15(25)10-14(23)11-18(21)26/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18-,19-,21-,22+,23+,24+/m1/s1 > PFMAXGIVRQIQPX-JSFQCDATSA-N > C17667 > LMST04010107 > 14703343; 20359489; 24900463; 30319399 $$$$