Desmethoxycentaureidin

Properties Image MNX_ID MNXM49182 reference lipidmapsM:LMPK12111236 formula C17H14O7 global charge 0 mol weight 330.292 InChIKey VCWFILUULGOFCD-UHFFFAOYSA-N InChI InChI=1S/C17H14O7/c1-22-12-4-3-8(5-9(12)18)13-6-10(19)15-14(24-13)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3 SMILES COC1=C(O)C=C(C2=CC(=O)C3=C(C=C(O)C(OC)=C3O)O2)C=C1 MNX internals InChI (mnx) InChI=1/C17H14O7/c1-22-12-4-3-8(5-9(12)18)13-6-10(19)15-14(24-13)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3 SMILES (mnx) [CH3:1][O:22][C:12]1=[C:9]([OH:18])[CH:5]=[C:8]([C:13]2=[CH:6][C:10](=[O:19])[C:15]3=[C:14]([CH:7]=[C:11]([OH:20])[C:17]([O:23][CH3:2])=[C:16]3[OH:21])[O:24]2)[CH:3]=[CH:4]1

Parent-child relations graph

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