MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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isorhamnetin

	Properties	Image
MNX_ID	MNXM8774
reference	chebi:144055
formula	C₁₆H₁₁O₇
global charge	-1
mol weight	315.257
InChIKey	IZQSVPBOUDKVDZ-UHFFFAOYSA-M
InChI	InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3/p-1
SMILES	COC1=C(O)C=CC(C2=C(O)C(=O)C3=C(C=C([O-])C=C3O)O2)=C1

MNX internals

InChI (mnx)	InChI=1/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
SMILES (mnx)	[CH3:1][O:22][C:11]1=[C:9]([OH:18])[CH:3]=[CH:2][C:7]([C:16]2=[C:15]([OH:21])[C:14](=[O:20])[C:13]3=[C:10]([OH:19])[CH:5]=[C:8]([OH:17])[CH:6]=[C:12]3[O:23]2)=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:144055 chebi:144055 IZQSVPBOUDKVDZ-UHFFFAOYSA-M	isorhamnetin 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-olate 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-olate isorhamnetin(1-)
hmdb:HMDB0002655 IZQSVPBOUDKVDZ-UHFFFAOYSA-N	Isorhamnetin 3'-Methoxy-3,4',5,7-tetrahydroxyflavone 3'-Methoxyquercetin 3'-Methylquercetin 3'-O-Methylquercetin 3,4',5,7-Tetrahydroxy-3'-methoxy-flavone 3,4',5,7-Tetrahydroxy-3'-methoxyflavone 3,5,7,4'-Tetrahydroxy-3'-methoxyflavone 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-benzopyran-4-one 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one 3-Methyl-quercetin 3-Methylquercetin 3-Methylquercetine 3-O-Methylquercetin 4'-Methoxyquercetin 4'-Methylquercetin 4'-O-Methylquercetin Isorhamnetine Isorhamnetol Quercetin 3'-methyl ether iso-Rhamnetin isorhamnetin
seed.compound:cpd06974 seedM:cpd06974 IZQSVPBOUDKVDZ-UHFFFAOYSA-M	Isorhamnetin 3'-methoxyquercetin 3-Methylquercetin 3-methylquercetin Quercetin 3'-methyl ether isorhamnetin
lipidmaps:LMPK12110002 lipidmapsM:LMPK12110002 IZQSVPBOUDKVDZ-UHFFFAOYSA-N	Isorhamnetin 3,4?,5,7-Tetrahydroxy-3?-methoxyflavone 3-methylquercetin
sabiork.compound:12169 sabiorkM:12169 kegg.compound:C10084 keggC:C10084 IZQSVPBOUDKVDZ-UHFFFAOYSA-N	Isorhamnetin 3-Methylquercetin Quercetin 3'-methyl ether
metacyc.compound:CPD-8004 metacycM:CPD-8004 IZQSVPBOUDKVDZ-UHFFFAOYSA-M	isorhamnetin 3'-methoxyquercetin 3-methylquercetin
CHEBI:6052 chebi:6052 IZQSVPBOUDKVDZ-UHFFFAOYSA-N	isorhamnetin 3,5,7,4'-tetrahydroxy-3'-methoxyflavone 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-benzopyran-4-one 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one 3-Methylquercetin Isorhamnetin Isorhamnetol Quercetin 3'-methyl ether
hmdb:HMDB02655 keggC:M_C10084 seedM:M_cpd06974	secondary/obsolete/fantasy identifier