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

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daidzein

	Properties	Image
MNX_ID	MNXM1227
reference	chebi:77764
formula	C₁₅H₉O₄
global charge	-1
mol weight	253.233
InChIKey	ZQSIJRDFPHDXIC-UHFFFAOYSA-M
InChI	InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H/p-1
SMILES	O=C1C(C2=CC=C(O)C=C2)=COC2=C1C=CC([O-])=C2

MNX internals

InChI (mnx)	InChI=1/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
SMILES (mnx)	[CH:1]1=[CH:3][C:10]([OH:16])=[CH:4][CH:2]=[C:9]1[C:13]1=[CH:8][O:19][C:14]2=[C:12]([CH:6]=[CH:5][C:11]([OH:17])=[CH:7]2)[C:15]1=[O:18]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77764 chebi:77764 ZQSIJRDFPHDXIC-UHFFFAOYSA-M	daidzein 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate daidzein(1-)
sabiork.compound:12293 sabiorkM:12293 kegg.compound:C10208 keggC:C10208 ZQSIJRDFPHDXIC-UHFFFAOYSA-N	Daidzein
hmdb:HMDB0003312 ZQSIJRDFPHDXIC-UHFFFAOYSA-N	Daidzein 4',7-Dihydroxy-isoflavone 4',7-Dihydroxyisoflavone 7,4'-Dihydroxyisoflavone 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one Daidzeol Diadzein Isoaurostatin daidzein
lipidmaps:LMPK12050038 lipidmapsM:LMPK12050038 ZQSIJRDFPHDXIC-UHFFFAOYSA-N	Daidzein 4',7-Dihydroxyisoflavone 7-Hydroxy-3-(4-hydroxyphenyl)chromen-4-one Daidzeol Isoaurostatin
seed.compound:cpd07097 seedM:cpd07097 ZQSIJRDFPHDXIC-UHFFFAOYSA-M	Daidzein 7,4'-dihydroxyisoflavone daidzein
vmhM:ddzn vmhmetabolite:ddzn ZQSIJRDFPHDXIC-UHFFFAOYSA-N	Daidzein 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
envipath:...86011c144874 envipathM:...86011c144874 ZQSIJRDFPHDXIC-UHFFFAOYSA-N	compound 0047247
CHEBI:28197 chebi:28197 ZQSIJRDFPHDXIC-UHFFFAOYSA-N	daidzein 4',7-dihydroxyisoflavone 7,4'-dihydroxyisoflavone 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone 7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one Daidzein daidzeol isoaurostatin
metacyc.compound:DAIDZEIN metacycM:DAIDZEIN ZQSIJRDFPHDXIC-UHFFFAOYSA-N	daidzein 7,4'-dihydroxyisoflavone
hmdb:HMDB03312 chebi:23558 chebi:4306 keggC:M_C10208 seedM:M_cpd07097 vmhM:M_ddzn	secondary/obsolete/fantasy identifier