3-Hydroxyretinoic acid

Properties Image MNX_ID MNXM819722 reference sabiorkM:30580 formula C20H28O3 global charge 0 mol weight 316.441 InChIKey FRMQNYSFAZVOGJ-PIKGMIDQSA-N InChI InChI=1S/C20H28O3/c1-14(7-6-8-15(2)11-19(22)23)9-10-18-16(3)12-17(21)13-20(18,4)5/h6-11,17,21H,12-13H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-11+ SMILES CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC(O)C1 MNX internals InChI (mnx) InChI=1/C20H28O3/c1-14(7-6-8-15(2)11-19(22)23)9-10-18-16(3)12-17(21)13-20(18,4)5/h6-11,17,21H,12-13H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-11+/t17? SMILES (mnx) [CH3:1][C:14](=[CH:7]\[CH:6]=[CH:8]\[C:15]([CH3:2])=[CH:11]\[C:19](=[O:22])[OH:23])/[CH:9]=[CH:10]/[C:18]1=[C:16]([CH3:3])[CH2:12][CH:17]([OH:21])[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) 0