veratrone acetate

Properties Image MNX_ID MNXM162099 reference chebi:86960 formula C20H22O7 global charge 0 mol weight 374.389 InChIKey ODPYOMZIVHDXSD-UHFFFAOYSA-N InChI InChI=1S/C20H22O7/c1-13(21)26-12-19(27-17-8-6-5-7-15(17)23-2)20(22)14-9-10-16(24-3)18(11-14)25-4/h5-11,19H,12H2,1-4H3 SMILES COC1=CC=CC=C1OC(COC(C)=O)C(=O)C1=CC(OC)=C(OC)C=C1 MNX internals InChI (mnx) InChI=1/C20H22O7/c1-13(21)26-12-19(27-17-8-6-5-7-15(17)23-2)20(22)14-9-10-16(24-3)18(11-14)25-4/h5-11,19H,12H2,1-4H3/t19? SMILES (mnx) [CH3:1][C:13](=[O:21])[O:26][CH2:12][CH:19]([C:20]([C:14]1=[CH:11][C:18]([O:25][CH3:4])=[C:16]([O:24][CH3:3])[CH:10]=[CH:9]1)=[O:22])[O:27][C:17]1=[CH:8][CH:6]=[CH:5][CH:7]=[C:15]1[O:23][CH3:2]

Parent-child relations graph

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