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

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pratensein

	Properties	Image
MNX_ID	MNXM3703
reference	chebi:61323
formula	C₁₆H₁₁O₆
global charge	-1
mol weight	299.258
InChIKey	FPIOBTBNRZPWJW-UHFFFAOYSA-M
InChI	InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3/p-1
SMILES	COC1=C(O)C=C(C2=COC3=C(C2=O)C(O)=CC([O-])=C3)C=C1

MNX internals

InChI (mnx)	InChI=1/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3
SMILES (mnx)	[CH3:1][O:21][C:13]1=[C:11]([OH:18])[CH:4]=[C:8]([C:10]2=[CH:7][O:22][C:14]3=[CH:6][C:9]([OH:17])=[CH:5][C:12]([OH:19])=[C:15]3[C:16]2=[O:20])[CH:2]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61323 chebi:61323 FPIOBTBNRZPWJW-UHFFFAOYSA-M	pratensein 3',5,7-trihydroxy-4'-methoxyisoflavone(1-) 3',5-dihydroxy-4'-methoxyisoflavone-7-olate 3'-hydroxy-biochanin A(1-) 3'-hydroxybiochanin A(1-) 5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-olate 5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-on-7-olate pratensein(1-)
sabiork.compound:12602 sabiorkM:12602 FPIOBTBNRZPWJW-UHFFFAOYSA-N	3'-Hydroxybiochanin A 5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one Pratensein Pratensin
hmdb:HMDB0030617 FPIOBTBNRZPWJW-UHFFFAOYSA-N	Pratensein 3',5,7-Trihydroxy-4'-methoxyisoflavone 3'-Hydroxy-biochanin a 3'-Hydroxybiochanin a 4'-Methoxy-3',5,7-trihydroxyisoflavone 4776b Compound 5,7,3'-Trihydroxy-4'-methoxyisoflavone 5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one pratensein
kegg.compound:C10520 keggC:C10520 FPIOBTBNRZPWJW-UHFFFAOYSA-N	Pratensein 3'-Hydroxybiochanin A
seed.compound:cpd07406 seedM:cpd07406 FPIOBTBNRZPWJW-UHFFFAOYSA-M	Pratensein 3'-hydroxy-biochanin A pratensein pratensin
lipidmaps:LMPK12050265 lipidmapsM:LMPK12050265 FPIOBTBNRZPWJW-UHFFFAOYSA-N	Pratensein 5,7,3'-Trihydroxy-4'-methoxyisoflavone
CHEBI:8359 chebi:8359 FPIOBTBNRZPWJW-UHFFFAOYSA-N	pratensein 3',5,7-trihydroxy-4'-methoxyisoflavone 3'-hydroxy-biochanin A 3'-hydroxybiochanin A 5,7,3'-trihydroxy-4'-methoxyisoflavone 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one Pratensein
metacyc.compound:CPD-3622 metacycM:CPD-3622 FPIOBTBNRZPWJW-UHFFFAOYSA-M	pratensein 3'-hydroxy-biochanin A pratensin
hmdb:HMDB30617 keggC:M_C10520 seedM:M_cpd07406	secondary/obsolete/fantasy identifier