4-hydroxyvitamin A1

Properties Image MNX_ID MNXM164305 reference biggM:CE1761 formula C20H30O2 global charge 0 mol weight 302.458 InChIKey IOELQUUUYMBPSA-UHFFFAOYSA-N InChI InChI=1S/C20H30O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,19,21-22H,11,13-14H2,1-5H3 SMILES CC(C=CC1=C(C)C(O)CCC1(C)C)=CC=CC(C)=CCO MNX internals InChI (mnx) InChI=1/C20H30O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,19,21-22H,11,13-14H2,1-5H3/b8-6?,10-9?,15-7?,16-12?/t19? SMILES (mnx) [CH3:1][C:15](=[CH:7][CH:6]=[CH:8][C:16]([CH3:2])=[CH:12][CH2:14][OH:21])[CH:9]=[CH:10][C:18]1=[C:17]([CH3:3])[CH:19]([OH:22])[CH2:11][CH2:13][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) 2