Rac-5,6-epoxy-retinoate

Properties Image MNX_ID MNXM726412 reference biggM:CE2953 formula C20H27O3 global charge -1 mol weight 315.433 InChIKey KEEHJLBAOLGBJZ-UHFFFAOYSA-M InChI InChI=1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/p-1 SMILES CC(C=CC12OC1(C)CCCC2(C)C)=CC=CC(C)=CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/b9-6?,13-10?,15-8?,16-14?/t19?,20? SMILES (mnx) [CH3:1][C:15](=[CH:8][CH:6]=[CH:9][C:16]([CH3:2])=[CH:14][C:17]([OH:21])=[O:22])[CH:10]=[CH:13][C:20]12[C:18]([CH3:3])([CH3:4])[CH2:11][CH2:7][CH2:12][C:19]1([CH3:5])[O:23]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 2