Dinorhyocholic acid

Properties Image MNX_ID MNXM155454 reference chebi:186094 formula C22H36O5 global charge 0 mol weight 380.525 InChIKey SNROUEKOYOUQNB-QETHTJRKSA-N InChI InChI=1S/C22H36O5/c1-11(20(26)27)13-4-5-14-17-15(7-9-21(13,14)2)22(3)8-6-12(23)10-16(22)18(24)19(17)25/h11-19,23-25H,4-10H2,1-3H3,(H,26,27)/t11-,12+,13+,14-,15-,16-,17-,18+,19-,21+,22+/m0/s1 SMILES C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C22H36O5/c1-11(20(26)27)13-4-5-14-17-15(7-9-21(13,14)2)22(3)8-6-12(23)10-16(22)18(24)19(17)25/h11-19,23-25H,4-10H2,1-3H3,(H,26,27)/t11-,12+,13+,14-,15-,16-,17-,18+,19-,21+,22+/m0/s1 SMILES (mnx) [CH3:1][C@@H:11]([C@H:13]1[CH2:4][CH2:5][C@H:14]2[C@H:17]3[C@H:15]([CH2:7][CH2:9][C@:21]12[CH3:2])[C@@:22]1([CH3:3])[CH2:8][CH2:6][C@@H:12]([OH:23])[CH2:10][C@H:16]1[C@@H:18]([OH:24])[C@H:19]3[OH:25])[C:20](=[O:26])[OH:27]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0