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

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3,3',4',5,7,8-hexahydroxyflavone

	Properties	Image
MNX_ID	MNXM4004
reference	chebi:77862
formula	C₁₅H₉O₈
global charge	-1
mol weight	317.229
InChIKey	YRRAGUMVDQQZIY-UHFFFAOYSA-M
InChI	InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H/p-1
SMILES	O=C1C(O)=C(C2=CC(O)=C(O)C=C2)OC2=C(O)C([O-])=CC(O)=C12

MNX internals

InChI (mnx)	InChI=1/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([OH:16])=[C:7]([OH:17])[CH:3]=[C:5]1[C:14]1=[C:13]([OH:22])[C:12](=[O:21])[C:10]2=[C:15]([C:11]([OH:20])=[C:9]([OH:19])[CH:4]=[C:8]2[OH:18])[O:23]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77862 chebi:77862 YRRAGUMVDQQZIY-UHFFFAOYSA-M	3,3',4',5,7,8-hexahydroxyflavone 2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-4-oxo-4H-chromen-7-olate gossypetin(1-)
seed.compound:cpd02539 seedM:cpd02539 YRRAGUMVDQQZIY-UHFFFAOYSA-M	3,3',4',5,7,8-Hexahydroxyflavone 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-chromen-4-one 3,3',4',5,7,8-hexahydroxyflavone 3,5,7,8,3',4'-hexahydroxyflavone 8-hydroxy-quercetin 8-hydroxyquercetin Gossypetin gossypetin
lipidmaps:LMPK12113231 lipidmapsM:LMPK12113231 YRRAGUMVDQQZIY-UHFFFAOYSA-N	Gossypetin
kegg.compound:C04109 keggC:C04109 YRRAGUMVDQQZIY-UHFFFAOYSA-N	Gossypetin 3,3',4',5,7,8-Hexahydroxyflavone
CHEBI:57759 chebi:57759 YRRAGUMVDQQZIY-UHFFFAOYSA-M	gossypetin-3-olate 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-4-oxo-4H-chromen-3-olate gossypetin anion
CHEBI:16400 chebi:16400 YRRAGUMVDQQZIY-UHFFFAOYSA-N	gossypetin 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one 3,3',4',5,7,8-Hexahydroxyflavone Articulatidin Equisporol Gossypetin
metacyc.compound:334578-HEXAHYDROXYFLAVONE metacycM:334578-HEXAHYDROXYFLAVONE YRRAGUMVDQQZIY-UHFFFAOYSA-M	gossypetin 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-chromen-4-one 3,3',4',5,7,8-hexahydroxyflavone 3,5,7,8,3',4'-hexahydroxyflavone 8-hydroxy-quercetin 8-hydroxyquercetin
chebi:11682 chebi:1362 chebi:19860 chebi:38341 keggC:M_C04109 seedM:M_cpd02539	secondary/obsolete/fantasy identifier