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

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baicalein

	Properties	Image
MNX_ID	MNXM2501
reference	chebi:78324
formula	C₁₅H₉O₅
global charge	-1
mol weight	269.232
InChIKey	FXNFHKRTJBSTCS-UHFFFAOYSA-M
InChI	InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H/p-1
SMILES	O=C1C=C(C2=CC=CC=C2)OC2=C1C(O)=C(O)C([O-])=C2

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78324 chebi:78324 FXNFHKRTJBSTCS-UHFFFAOYSA-M	baicalein 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-olate baicalein(1-)
sabiork.compound:12108 sabiorkM:12108 kegg.compound:C10023 keggC:C10023 FXNFHKRTJBSTCS-UHFFFAOYSA-N	Baicalein 5,6,7-Trihydroxyflavone
seed.compound:cpd06913 seedM:cpd06913 FXNFHKRTJBSTCS-UHFFFAOYSA-M	Baicalein 5,6,7-Trihydroxyflavone 5,6,7-trihydroxyflavone baicalein
lipidmaps:LMPK12111095 lipidmapsM:LMPK12111095 FXNFHKRTJBSTCS-UHFFFAOYSA-N	Baicalein 5,6,7-Trihydroxyflavone Noroxylin
CHEBI:2979 chebi:2979 FXNFHKRTJBSTCS-UHFFFAOYSA-N	baicalein 5,6,7-Trihydroxyflavone 5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one Baicalein Noroxylin
metacyc.compound:CPD-12724 metacycM:CPD-12724 FXNFHKRTJBSTCS-UHFFFAOYSA-N	baicalein 5,6,7-trihydroxyflavone
keggC:M_C10023 seedM:M_cpd06913	secondary/obsolete/fantasy identifier