3'-Methoxyisosativanone

Properties Image MNX_ID MNXM35944 reference lipidmapsM:LMPK12050470 formula C18H18O6 global charge 0 mol weight 330.336 InChIKey ZBQLNLXUUBOEOZ-UHFFFAOYSA-N InChI InChI=1S/C18H18O6/c1-21-10-4-5-12-15(8-10)24-9-13(16(12)19)11-6-7-14(22-2)18(23-3)17(11)20/h4-8,13,20H,9H2,1-3H3 SMILES COC1=CC2=C(C=C1)C(=O)C(C1=CC=C(OC)C(OC)=C1O)CO2 MNX internals InChI (mnx) InChI=1/C18H18O6/c1-21-10-4-5-12-15(8-10)24-9-13(16(12)19)11-6-7-14(22-2)18(23-3)17(11)20/h4-8,13,20H,9H2,1-3H3/t13? SMILES (mnx) [CH3:1][O:21][C:10]1=[CH:8][C:15]2=[C:12]([CH:5]=[CH:4]1)[C:16](=[O:19])[CH:13]([C:11]1=[C:17]([OH:20])[C:18]([O:23][CH3:3])=[C:14]([O:22][CH3:2])[CH:7]=[CH:6]1)[CH2:9][O:24]2

Parent-child relations graph

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