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

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aureusidin

	Properties	Image
MNX_ID	MNXM732100
reference	chebi:18149
formula	C₁₅H₁₀O₆
global charge	0
mol weight	286.239
InChIKey	WBEFUVAYFSOUEA-PQMHYQBVSA-N
InChI	InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4-
SMILES	O=C1C2=C(O)C=C(O)C=C2O/C1=C\C1=CC(O)=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4-
SMILES (mnx)	[CH:1]1=[CH:2][C:9]([OH:17])=[C:10]([OH:18])[CH:3]=[C:7]1/[CH:4]=[C:13]1/[C:15](=[O:20])[C:14]2=[C:11]([OH:19])[CH:5]=[C:8]([OH:16])[CH:6]=[C:12]2[O:21]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18149 chebi:18149 WBEFUVAYFSOUEA-PQMHYQBVSA-N	aureusidin (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3(2H)-one Aureusidin
kegg.compound:C08576 keggC:C08576 vmhM:asdn vmhmetabolite:asdn WBEFUVAYFSOUEA-PQMHYQBVSA-N	Aureusidin
seed.compound:cpd05483 seedM:cpd05483 WBEFUVAYFSOUEA-PQMHYQBVSA-N	Aureusidin aureusidin
metacyc.compound:CPD-2982 metacycM:CPD-2982 WBEFUVAYFSOUEA-PQMHYQBVSA-N	aureusidin
CHEBI:58393 chebi:58393 WBEFUVAYFSOUEA-PQMHYQBVSA-M	aureusidin-6-olate (2Z)-2-(3,4-dihydroxybenzylidene)-4-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-olate aureusidin(1-)
chebi:13867 chebi:2926 keggC:M_C08576 seedM:M_cpd05483 vmhM:M_asdn	secondary/obsolete/fantasy identifier