3-Hydroxysintaxanthin

Properties Image MNX_ID MNXM117480 reference chebi:175580 formula C31H42O2 global charge 0 mol weight 446.675 InChIKey PJAPZIZSFGWFOQ-MBEKKZSISA-N InChI InChI=1S/C31H42O2/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(6)32)15-11-16-25(3)19-20-30-27(5)21-29(33)22-31(30,7)8/h9-20,29,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+ SMILES CC(=O)/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)/C=C/C1=C(C)CC(O)CC1(C)C MNX internals InChI (mnx) InChI=1/C31H42O2/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(6)32)15-11-16-25(3)19-20-30-27(5)21-29(33)22-31(30,7)8/h9-20,29,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+/t29? SMILES (mnx) [CH3:1][C:23](=[CH:13]\[CH:9]=[CH:10]/[CH:14]=[C:24]([CH3:2])/[CH:17]=[CH:12]/[CH:18]=[C:26](\[CH3:4])[C:28]([CH3:6])=[O:32])/[CH:15]=[CH:11]/[CH:16]=[C:25]([CH3:3])\[CH:19]=[CH:20]\[C:30]1=[C:27]([CH3:5])[CH2:21][CH:29]([OH:33])[CH2:22][C:31]1([CH3:7])[CH3:8]

Parent-child relations graph

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