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

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chrysoeriol

	Properties	Image
MNX_ID	MNXM4351
reference	chebi:57799
formula	C₁₆H₁₁O₆
global charge	-1
mol weight	299.258
InChIKey	SCZVLDHREVKTSH-UHFFFAOYSA-M
InChI	InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3/p-1
SMILES	COC1=CC(C2=CC(=O)C3=C(C=C([O-])C=C3O)O2)=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
SMILES (mnx)	[CH3:1][O:21][C:14]1=[C:10]([OH:18])[CH:3]=[CH:2][C:8]([C:13]2=[CH:7][C:12](=[O:20])[C:16]3=[C:11]([OH:19])[CH:5]=[C:9]([OH:17])[CH:6]=[C:15]3[O:22]2)=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57799 chebi:57799 SCZVLDHREVKTSH-UHFFFAOYSA-M	chrysoeriol 4',5-dihydroxy-3'-methoxyflavon-7-olate anion 4',5-dihydroxy-3'-methoxyflavon-7-olate(1-) 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-olate
CHEBI:16514 chebi:16514 SCZVLDHREVKTSH-UHFFFAOYSA-N	4',5,7-trihydroxy-3'-methoxyflavone 3'-Methoxyapigenin 3'-O-Methylluteolin 5,7,4'-Trihydroxy-3'-methoxyflavone 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one Chryseriol Chrysoeriol Luteolin 3'-methyl ether
lipidmaps:LMPK12110799 lipidmapsM:LMPK12110799 SCZVLDHREVKTSH-UHFFFAOYSA-N	Chrysoeriol
hmdb:HMDB0030667 SCZVLDHREVKTSH-UHFFFAOYSA-N	Chrysoeriol 2-(5-Methoxy,4-hydroxyphenyl)5,7-dihydroxy-benzpyran-4-one 3'-Methoxy-4',5,7-trihydroxyflavone 3'-Methoxyapigenin 3'-O-Methylluteolin 3'-O-Methyluteolin 4',5,7-Trihydroxy-3'-methoxy-flavone 5,7,4'-Trihydroxy-3'-methoxyflavone 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one, 9ci 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one 8-Chrysoeriol Chryseriol Chrysoriol Luteolin 3'-methyl ether Scoparol chrysoeriol
seed.compound:cpd02635 seedM:cpd02635 SCZVLDHREVKTSH-UHFFFAOYSA-M	Chrysoeriol 3'-O-Methylluteolin 3'-O-methylluteolin 5,7,4'-Trihydroxy-3'-methoxyflavone 5,7,4'-trihydroxy-3'-methoxyflavone chrysoeriol
kegg.compound:C04293 keggC:C04293 SCZVLDHREVKTSH-UHFFFAOYSA-N	Chrysoeriol 3'-O-Methylluteolin 5,7,4'-Trihydroxy-3'-methoxyflavone
metacyc.compound:574-TRIHYDROXY-3-METHOXYFLAVONE metacycM:574-TRIHYDROXY-3-METHOXYFLAVONE SCZVLDHREVKTSH-UHFFFAOYSA-M	chrysoeriol 3'-O-methylluteolin 5,7,4'-trihydroxy-3'-methoxyflavone
hmdb:HMDB30667 chebi:12083 chebi:2006 chebi:20519 keggC:M_C04293 seedM:M_cpd02635	secondary/obsolete/fantasy identifier