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

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quercetin

	Properties	Image
MNX_ID	MNXM620
reference	chebi:57694
formula	C₁₅H₉O₇
global charge	-1
mol weight	301.23
InChIKey	REFJWTPEDVJJIY-UHFFFAOYSA-M
InChI	InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H/p-1
SMILES	O=C1C(O)=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=CC([O-])=C2

MNX internals

InChI (mnx)	InChI=1/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
SMILES (mnx)	[CH:1]1=[CH:2][C:8]([OH:17])=[C:9]([OH:18])[CH:3]=[C:6]1[C:15]1=[C:14]([OH:21])[C:13](=[O:20])[C:12]2=[C:10]([OH:19])[CH:4]=[C:7]([OH:16])[CH:5]=[C:11]2[O:22]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	50
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57694 chebi:57694 REFJWTPEDVJJIY-UHFFFAOYSA-M	quercetin 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4-chromen-7-olate quercetin anion quercetin-7-olate
bigg.metabolite:quc biggM:quc envipath:...6feca825ef49 envipathM:...6feca825ef49 lipidmaps:LMPK12110004 lipidmapsM:LMPK12110004 vmhM:qrctn vmhmetabolite:qrctn REFJWTPEDVJJIY-UHFFFAOYSA-N	Quercetin
hmdb:HMDB0005794 REFJWTPEDVJJIY-UHFFFAOYSA-N	Quercetin 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one 3',4',5,7-Tetrahydroxyflavan-3-ol 3',4',5,7-Tetrahydroxyflavon-3-ol 3'-Hydroxykaempferol 3,3',4',5,7-Pentahydroxyflavone 3,3',4,5,7-Pentahydroxyflavone 3,4',5,5',7-Pentahydroxy-flavone 3,5,7,3',4'-Pentahydroxyflavone 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-ON 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one Dikvertin Flavin meletin Meletin Quercetin dihydrate Quercetine Quercetol Quertin Quertine Sophoretin Xanthaurine quercetin
sabiork.compound:5066 sabiorkM:5066 kegg.compound:C00389 keggC:C00389 REFJWTPEDVJJIY-UHFFFAOYSA-N	Quercetin 3,3',4,5,7-Pentahydroxyflavone 3,5,7,3',4'-Pentahydroxyflavone
seed.compound:cpd00313 seedM:cpd00313 REFJWTPEDVJJIY-UHFFFAOYSA-M	Quercetin 3,3',4,5,7-Pentahydroxyflavone 3,5,7,3',4'-Pentahydroxyflavone 3,5,7,3',4'-pentahydroflavone 3,5,7,3',4'-pentahydroxyflavone quc quercetin
envipath:...92da72dd8977 envipathM:...92da72dd8977 REFJWTPEDVJJIY-UHFFFAOYSA-N	compound 0042433
reactome:R-ALL-8953397 reactomeM:R-ALL-8953397 CHEBI:16243 chebi:16243 REFJWTPEDVJJIY-UHFFFAOYSA-N	quercetin 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one 3,3',4',5,7-pentahydroxyflavone 3,5,7,3',4'-PENTAHYDROXYFLAVONE 3,5,7,3',4'-Pentahydroxyflavone Quercetin sophoretin xanthaurine
metacyc.compound:CPD-520 metacycM:CPD-520 REFJWTPEDVJJIY-UHFFFAOYSA-M	quercetin 3,5,7,3',4'-pentahydroflavone 3,5,7,3',4'-pentahydroxyflavone
hmdb:HMDB05794 chebi:11704 chebi:14991 chebi:26472 chebi:45280 chebi:8696 biggM:M_quc keggC:M_C00389 seedM:M_cpd00313 vmhM:M_qrctn	secondary/obsolete/fantasy identifier