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

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genistein

	Properties	Image
MNX_ID	MNXM1476
reference	chebi:74224
formula	C₁₅H₉O₅
global charge	-1
mol weight	269.232
InChIKey	TZBJGXHYKVUXJN-UHFFFAOYSA-M
InChI	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H/p-1
SMILES	O=C1C(C2=CC=C(O)C=C2)=COC2=C1C(O)=CC([O-])=C2

MNX internals

InChI (mnx)	InChI=1/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
SMILES (mnx)	[CH:1]1=[CH:3][C:9]([OH:16])=[CH:4][CH:2]=[C:8]1[C:11]1=[CH:7][O:20][C:13]2=[CH:6][C:10]([OH:17])=[CH:5][C:12]([OH:18])=[C:14]2[C:15]1=[O:19]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74224 chebi:74224 TZBJGXHYKVUXJN-UHFFFAOYSA-M	genistein 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate genistein(1-)
vmhM:gstn vmhmetabolite:gstn TZBJGXHYKVUXJN-UHFFFAOYSA-N	Genistein
kegg.drug:D11680 keggD:D11680 TZBJGXHYKVUXJN-UHFFFAOYSA-N	Genistein (USAN)
hmdb:HMDB0003217 TZBJGXHYKVUXJN-UHFFFAOYSA-N	Genistein 4',5, 7-Trihydroxyisoflavone 4',5,7-Trihydroxy-isoflavone 4',5,7-Trihydroxyisoflavone 4,5,7-Trihydroxy iso-flavone 5,7,4'-Trihydroxyisoflavone 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one Genestein Genistein 85% HPLC Genisteol Genisterin Prunetol Sophoricol genistein
seed.compound:cpd03971 seedM:cpd03971 TZBJGXHYKVUXJN-UHFFFAOYSA-M	Genistein 4',5,7-trihydroxyisoflavone 5,7,4'-Trihydroxyisoflavone 5,7,4'-trihydroxyisoflavone 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one genistein
sabiork.compound:8731 sabiorkM:8731 kegg.compound:C06563 keggC:C06563 TZBJGXHYKVUXJN-UHFFFAOYSA-N	Genistein 5,7,4'-Trihydroxyisoflavone
lipidmaps:LMPK12050218 lipidmapsM:LMPK12050218 TZBJGXHYKVUXJN-UHFFFAOYSA-N	Genistein Prunetol
CHEBI:28088 chebi:28088 TZBJGXHYKVUXJN-UHFFFAOYSA-N	genistein 4',5,7-trihydroxyisoflavone 5,7,4'-Trihydroxyisoflavone 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one GENISTEIN Genistein Prunetol Sophoricol
metacyc.compound:CPD-3141 metacycM:CPD-3141 TZBJGXHYKVUXJN-UHFFFAOYSA-M	genistein 4',5,7-trihydroxyisoflavone 5,7,4'-trihydroxyisoflavone 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
hmdb:HMDB03217 chebi:24204 chebi:42763 chebi:5302 keggC:M_C06563 keggD:M_D11680 seedM:M_cpd03971 vmhM:M_gstn	secondary/obsolete/fantasy identifier