tetrahydroobvatol

Properties Image MNX_ID MNXM109230 reference metacycM:CPD-14071 formula C18H22O3 global charge 0 mol weight 286.371 InChIKey OGJJXRXSJDUVGA-UHFFFAOYSA-N InChI InChI=1S/C18H22O3/c1-3-5-13-7-9-15(10-8-13)21-17-12-14(6-4-2)11-16(19)18(17)20/h7-12,19-20H,3-6H2,1-2H3 SMILES CCCC1=CC=C(OC2=CC(CCC)=CC(O)=C2O)C=C1 MNX internals InChI (mnx) InChI=1/C18H22O3/c1-3-5-13-7-9-15(10-8-13)21-17-12-14(6-4-2)11-16(19)18(17)20/h7-12,19-20H,3-6H2,1-2H3 SMILES (mnx) [CH3:1][CH2:3][CH2:5][C:13]1=[CH:8][CH:10]=[C:15]([O:21][C:17]2=[CH:12][C:14]([CH2:6][CH2:4][CH3:2])=[CH:11][C:16]([OH:19])=[C:18]2[OH:20])[CH:9]=[CH:7]1

Parent-child relations graph

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