9-cis-4-oxo-13,14-dihydro-retinoate

Properties Image MNX_ID MNXM166718 reference biggM:CE3136 formula C20H27O3 global charge -1 mol weight 315.433 InChIKey XMIWQNUYRMSNDU-INKCALMPSA-M InChI InChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,15H,11-13H2,1-5H3,(H,22,23)/p-1/b8-6+,10-9+,14-7- SMILES CC1=C(/C=C/C(C)=C\C=C\C(C)CC(=O)[O-])C(C)(C)CCC1=O MNX internals InChI (mnx) InChI=1/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,15H,11-13H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7-/t15? SMILES (mnx) [CH3:1][C:14](=[CH:7]/[CH:6]=[CH:8]/[CH:15]([CH3:2])[CH2:13][C:19](=[O:22])[OH:23])/[CH:9]=[CH:10]/[C:17]1=[C:16]([CH3:3])[C:18](=[O:21])[CH2:11][CH2:12][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) 1