5,8-epoxy-13-cis-retinoate

Properties Image MNX_ID MNXM726413 reference biggM:CE2964 formula C20H27O3 global charge -1 mol weight 315.433 InChIKey QDOSIDVGVRAXSE-UHFFFAOYSA-M InChI InChI=1S/C20H28O3/c1-14(12-18(21)22)8-6-9-15(2)16-13-17-19(3,4)10-7-11-20(17,5)23-16/h6,8-9,12-13,16H,7,10-11H2,1-5H3,(H,21,22)/p-1 SMILES CC(C=CC=C(C)C1C=C2C(C)(C)CCCC2(C)O1)=CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H28O3/c1-14(12-18(21)22)8-6-9-15(2)16-13-17-19(3,4)10-7-11-20(17,5)23-16/h6,8-9,12-13,16H,7,10-11H2,1-5H3,(H,21,22)/b8-6?,14-12?,15-9?/t16?,20? SMILES (mnx) [CH3:1][C:14]([CH:8]=[CH:6][CH:9]=[C:15]([CH3:2])[CH:16]1[CH:13]=[C:17]2[C:19]([CH3:3])([CH3:4])[CH2:10][CH2:7][CH2:11][C:20]2([CH3:5])[O:23]1)=[CH:12][C:18](=[O:21])[OH:22]

Parent-child relations graph

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