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patuletin

PropertiesImage
MNX_IDMNXM95527 Image of MNXM95527
referencechebi:75164
formulaC16H12O8
global charge0
mol weight332.264
InChIKeyJMIFIYIEXODVTO-UHFFFAOYSA-N
InChIInChI=1S/C16H12O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,17-19,21-22H,1H3
SMILESCOC1=C(O)C2=C(C=C1O)OC(C1=CC=C(O)C(O)=C1)=C(O)C2=O
MNX internals
InChI (mnx)InChI=1/C16H12O8/c1-23-16-9(19)5-10-11(13(16)21)12(20)14(22)15(24-10)6-2-3-7(17)8(18)4-6/h2-5,17-19,21-22H,1H3 Image of MNXM95527
SMILES (mnx)[CH3:1][O:23][C:16]1=[C:13]([OH:21])[C:11]2=[C:10]([CH:5]=[C:9]1[OH:19])[O:24][C:15]([C:6]1=[CH:4][C:8]([OH:18])=[C:7]([OH:17])[CH:3]=[CH:2]1)=[C:14]([OH:22])[C:12]2=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75164
chebi:75164
JMIFIYIEXODVTO-UHFFFAOYSA-N 		patuletin
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4-benzopyrone
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-chromen-4-one
3',4',5,7-Tetrahydroxy-6-methoxyflavonol
3,5,7,3',4'-Pentahydroxy-6-methoxyflavone
6-Methoxyquercetin
6-O-Methylquercetagetin
Quercetagetin 6-methyl ether
hmdb:HMDB0030802
JMIFIYIEXODVTO-UHFFFAOYSA-N 		Patuletin
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4-benzopyrone
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-1-benzopyran-4-one
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-1-benzopyran-4-one, 9ci
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-chromen-4-one
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-chromen-4-one
3',4',5,7-Tetrahydroxy-6-methoxyflavonol
3,5,7,3',4'-Pentahydroxy-6-methoxyflavone
6-Methoxyquercetin
6-O-Methylquercetagetin
Quercetagetin 6-methyl ether
patuletin

lipidmaps:LMPK12112986
lipidmapsM:LMPK12112986
JMIFIYIEXODVTO-UHFFFAOYSA-N 		Patuletin
3,5,7,3',4'-Pentahydroxy-6-methoxyflavone
6-Methoxyquercetin

seed.compound:cpd07007
seedM:cpd07007
JMIFIYIEXODVTO-UHFFFAOYSA-M 		Patuletin
6-methoxyquercetin
Quercetagetin 6-methyl ether
patuletin
petuletin
quercetagetin 6-methyl ether

sabiork.compound:12203
sabiorkM:12203
kegg.compound:C10118
keggC:C10118
JMIFIYIEXODVTO-UHFFFAOYSA-N 		Patuletin
Quercetagetin 6-methyl ether

metacyc.compound:CPD-14907
metacycM:CPD-14907
JMIFIYIEXODVTO-UHFFFAOYSA-M 		patuletin
6-methoxyquercetin
petuletin
quercetagetin 6-methyl ether

hmdb:HMDB30802
chebi:7942
keggC:M_C10118
seedM:M_cpd07007 		secondary/obsolete/fantasy identifier