all-trans-3-Hydroxyretinal

Properties Image MNX_ID MNXM1106949 reference chebi:81575 formula C20H28O2 global charge 0 mol weight 300.442 InChIKey QPRQNCDEPWLQRO-DAWLFQHYSA-N InChI InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11+ SMILES CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC(O)C1 MNX internals InChI (mnx) InChI=1/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11+/t18? SMILES (mnx) [CH3:1][C:15](=[CH:7]\[CH:6]=[CH:8]\[C:16]([CH3:2])=[CH:11]\[CH:12]=[O:21])/[CH:9]=[CH:10]/[C:19]1=[C:17]([CH3:3])[CH2:13][CH:18]([OH:22])[CH2:14][C:20]1([CH3:4])[CH3:5]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0