4-oxo-9-cis-retinoate

Properties Image MNX_ID MNXM163202 reference biggM:CE5653 formula C20H25O3 global charge -1 mol weight 313.417 InChIKey YOFBBAJVETYSCH-UHFFFAOYSA-M InChI InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-11-17-16(3)10-12-18(21)20(17,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,22,23)/p-1 SMILES CC(C=CC1=C(C)CCC(=O)C1(C)C)=CC=CC(C)=CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-11-17-16(3)10-12-18(21)20(17,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,22,23)/b8-6?,11-9?,14-7?,15-13? SMILES (mnx) [CH3:1][C:14](=[CH:7][CH:6]=[CH:8][C:15]([CH3:2])=[CH:13][C:19]([OH:22])=[O:23])[CH:9]=[CH:11][C:17]1=[C:16]([CH3:3])[CH2:10][CH2:12][C:18](=[O:21])[C:20]1([CH3:4])[CH3:5]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 4