3,5-dihydroxy-6,7-didehydro-12'-apo-beta-caroten-12'-al

Properties Image MNX_ID MNXM9961 reference metacycM:CPD-7198 formula C27H36O3 global charge 0 mol weight 408.582 InChIKey DTXLMVIHOKFQAR-KJJRRPHQSA-N InChI InChI=1S/C27H36O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-25-26(4,5)19-24(29)20-27(25,6)30/h7-16,18,24,29-30H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,21-11+,22-12+,23-14+ SMILES C/C(C=C=C1C(C)(C)CC(O)CC1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=O MNX internals InChI (mnx) InChI=1/C27H36O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-25-26(4,5)19-24(29)20-27(25,6)30/h7-16,18,24,29-30H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,21-11+,22-12+,23-14+/t17?,24?,27? SMILES (mnx) [CH3:1][C:21](=[CH:11]\[CH:7]=[CH:8]\[CH:12]=[C:22]([CH3:2])\[CH:15]=[CH:10]\[CH:18]=[O:28])/[CH:13]=[CH:9]/[CH:14]=[C:23](\[CH3:3])[CH:16]=[C:17]=[C:25]1[C:26]([CH3:4])([CH3:5])[CH2:19][CH:24]([OH:29])[CH2:20][C:27]1([CH3:6])[OH:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0