4-hydroxy-all-trans-retinyl acetate

Properties Image MNX_ID MNXM729389 reference biggM:CE2961 formula C22H32O3 global charge 0 mol weight 344.495 InChIKey ULTPFVHSYYJYAE-UHFFFAOYSA-N InChI InChI=1S/C22H32O3/c1-16(8-7-9-17(2)13-15-25-19(4)23)10-11-20-18(3)21(24)12-14-22(20,5)6/h7-11,13,21,24H,12,14-15H2,1-6H3 SMILES CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)C(O)CCC1(C)C MNX internals InChI (mnx) InChI=1/C22H32O3/c1-16(8-7-9-17(2)13-15-25-19(4)23)10-11-20-18(3)21(24)12-14-22(20,5)6/h7-11,13,21,24H,12,14-15H2,1-6H3/b9-7?,11-10?,16-8?,17-13?/t21? SMILES (mnx) [CH3:1][C:16](=[CH:8][CH:7]=[CH:9][C:17]([CH3:2])=[CH:13][CH2:15][O:25][C:19]([CH3:4])=[O:23])[CH:10]=[CH:11][C:20]1=[C:18]([CH3:3])[CH:21]([OH:24])[CH2:12][CH2:14][C:22]1([CH3:5])[CH3:6]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1