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7,4'-O-dimethylquercetin

PropertiesImage
MNX_IDMNXM107408 Image of MNXM107408
referencechebi:194068
formulaC17H13O7
global charge-1
mol weight329.284
InChIKeyBWORNNDZQGOKBY-UHFFFAOYSA-M
InChIInChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3/p-1
SMILESCOC1=CC2=C(C(=O)C([O-])=C(C3=CC(O)=C(OC)C=C3)O2)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3 Image of MNXM107408
SMILES (mnx)[CH3:1][O:22][C:9]1=[CH:6][C:11]([OH:19])=[C:14]2[C:13](=[CH:7]1)[O:24][C:17]([C:8]1=[CH:5][C:10]([OH:18])=[C:12]([O:23][CH3:2])[CH:4]=[CH:3]1)=[C:16]([OH:21])[C:15]2=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:194068
chebi:194068
BWORNNDZQGOKBY-UHFFFAOYSA-M 		7,4'-O-dimethylquercetin
7,4'-O-dimethylquercetin 3-olate
ombuin 3-olate

metacyc.compound:CPD-14948
metacycM:CPD-14948
seed.compound:cpd34310
seedM:cpd34310
BWORNNDZQGOKBY-UHFFFAOYSA-M
BWORNNDZQGOKBY-UHFFFAOYSA-N 		7,4'-dimethylquercetin
quercetin 7,4'-dimethyl ether

lipidmaps:LMPK12112652
lipidmapsM:LMPK12112652
BWORNNDZQGOKBY-UHFFFAOYSA-N 		Ombuin
3,5,3'-Trihydroxy-7,4'-dimethoxyflavone
4',7-Dimethylquercetin

CHEBI:67493
chebi:67493
BWORNNDZQGOKBY-UHFFFAOYSA-N 		ombuin
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-chromen-4-one
4',7-dimethoxy-3,3',5-trihydroxyflavone
7,4'-di-O-methylquercetin

seedM:M_cpd34310 		secondary/obsolete/fantasy identifier