3-oxo-24R-hydroxy-poriferast-1,4,6,26-tetraen-18-oic acid

Properties Image MNX_ID MNXM64959 reference chebi:173030 formula C29H40O4 global charge 0 mol weight 452.635 InChIKey RZICIXRISYIONZ-QEYQUZSWSA-N InChI InChI=1S/C29H40O4/c1-6-28(33,18(2)3)15-11-19(4)23-9-10-25-22-8-7-20-17-21(30)12-14-27(20,5)24(22)13-16-29(23,25)26(31)32/h7-8,12,14,17,19,22-25,33H,2,6,9-11,13,15-16H2,1,3-5H3,(H,31,32)/t19-,22-,23-,24+,25+,27+,28-,29+/m1/s1 SMILES C=C(C)[C@@](O)(CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C(=O)O MNX internals InChI (mnx) InChI=1/C29H40O4/c1-6-28(33,18(2)3)15-11-19(4)23-9-10-25-22-8-7-20-17-21(30)12-14-27(20,5)24(22)13-16-29(23,25)26(31)32/h7-8,12,14,17,19,22-25,33H,2,6,9-11,13,15-16H2,1,3-5H3,(H,31,32)/t19-,22-,23-,24+,25+,27+,28-,29+/m1/s1 SMILES (mnx) [CH3:1][CH2:6][C@@:28]([CH2:15][CH2:11][C@@H:19]([CH3:4])[C@H:23]1[CH2:9][CH2:10][C@H:25]2[C@@H:22]3[CH:8]=[CH:7][C:20]4=[CH:17][C:21](=[O:30])[CH:12]=[CH:14][C@:27]4([CH3:5])[C@H:24]3[CH2:13][CH2:16][C@:29]12[C:26](=[O:31])[OH:32])([C:18](=[CH2:2])[CH3:3])[OH:33]

Parent-child relations graph

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