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

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formononetin

	Properties	Image
MNX_ID	MNXM1232
reference	chebi:77688
formula	C₁₆H₁₁O₄
global charge	-1
mol weight	267.26
InChIKey	HKQYGTCOTHHOMP-UHFFFAOYSA-M
InChI	InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3/p-1
SMILES	COC1=CC=C(C2=COC3=CC([O-])=CC=C3C2=O)C=C1

MNX internals

InChI (mnx)	InChI=1/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
SMILES (mnx)	[CH3:1][O:19][C:12]1=[CH:6][CH:3]=[C:10]([C:14]2=[CH:9][O:20][C:15]3=[C:13]([CH:7]=[CH:4][C:11]([OH:17])=[CH:8]3)[C:16]2=[O:18])[CH:2]=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77688 chebi:77688 HKQYGTCOTHHOMP-UHFFFAOYSA-M	formononetin 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate formononetin(1-)
sabiork.compound:5281 sabiorkM:5281 kegg.compound:C00858 keggC:C00858 HKQYGTCOTHHOMP-UHFFFAOYSA-N	Formononetin
hmdb:HMDB0005808 HKQYGTCOTHHOMP-UHFFFAOYSA-N	Formononetin 4'-O-Methyldaidzein 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone 7-Hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one 7-Hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one(9ci) 7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one 7-Hydroxy-4'-methoxy-isoflavone 7-Hydroxy-4'-methoxy-isoflavone (8ci) 7-Hydroxy-4'-methoxyisoflavone 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one Biochanin b Formononetin, 4-(14)C-labeled Formononetol formononetin
seed.compound:cpd00639 seedM:cpd00639 HKQYGTCOTHHOMP-UHFFFAOYSA-M	Formononetin 4'-O-methyldaidzein 7-hydroxy-4'-methoxyisoflavone formononetin
lipidmaps:LMPK12050037 lipidmapsM:LMPK12050037 HKQYGTCOTHHOMP-UHFFFAOYSA-N	Formononetin 7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
vmhM:fmntn vmhmetabolite:fmntn HKQYGTCOTHHOMP-UHFFFAOYSA-N	Formononetin 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
envipath:...f7e706ccf940 envipathM:...f7e706ccf940 HKQYGTCOTHHOMP-UHFFFAOYSA-N	compound 0047240
CHEBI:18088 chebi:18088 HKQYGTCOTHHOMP-UHFFFAOYSA-N	formononetin 4'-O-methyldaidzein 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone 7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one 7-Hydroxy-4'-methoxyisoflavone 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one Formononetin biochanin B formononetol
metacyc.compound:FORMONONETIN metacycM:FORMONONETIN HKQYGTCOTHHOMP-UHFFFAOYSA-N	formononetin 4'-O-methyldaidzein 7-hydroxy-4'-methoxyisoflavone
hmdb:HMDB05808 chebi:14279 chebi:18194 chebi:24086 chebi:5146 keggC:M_C00858 seedM:M_cpd00639 vmhM:M_fmntn	secondary/obsolete/fantasy identifier