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

Feedback

7,8-dihydroxycoumarin

	Properties	Image
MNX_ID	MNXM4422
reference	chebi:17313
formula	C₉H₆O₄
global charge	0
mol weight	178.143
InChIKey	ATEFPOUAMCWAQS-UHFFFAOYSA-N
InChI	InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
SMILES	O=C1C=CC2=CC=C(O)C(O)=C2O1

MNX internals

InChI (mnx)	InChI=1/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
SMILES (mnx)	[CH:1]1=[CH:3][C:6]([OH:10])=[C:8]([OH:12])[C:9]2=[C:5]1[CH:2]=[CH:4][C:7](=[O:11])[O:13]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17313 chebi:17313 ATEFPOUAMCWAQS-UHFFFAOYSA-N	7,8-dihydroxycoumarin 7,8-Dihydroxy-2H-1-benzopyran-2-one 7,8-Dihydroxycoumarin 7,8-dihydroxy-2H-chromen-2-one Daphnetin Daphnetol
seed.compound:cpd30767 seedM:cpd30767	7,8-Dihydroxy-2H-1-benzopyran-2-one 7,8-Dihydroxy-2H-chromen-2-one 7,8-dihydroxycoumarin Daphnetol daphnetin
kegg.compound:C03093 keggC:C03093 ATEFPOUAMCWAQS-UHFFFAOYSA-N	7,8-Dihydroxycoumarin Daphnetin
seed.compound:cpd01985 seedM:cpd01985 ATEFPOUAMCWAQS-UHFFFAOYSA-N	Daphnetin 7,8-Dihydroxycoumarin 7,8-dihydroxycoumarin
metacyc.compound:CPD-14427 metacycM:CPD-14427 ATEFPOUAMCWAQS-UHFFFAOYSA-N	daphnetin 7,8-Dihydroxy-2H-1-benzopyran-2-one 7,8-Dihydroxy-2H-chromen-2-one 7,8-dihydroxycoumarin Daphnetol
chebi:12246 chebi:20770 chebi:2252 keggC:M_C03093 seedM:M_cpd01985 seedM:M_cpd30767	secondary/obsolete/fantasy identifier