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

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umbelliferone

	Properties	Image
MNX_ID	MNXM2293
reference	chebi:27510
formula	C₉H₆O₃
global charge	0
mol weight	162.144
InChIKey	ORHBXUUXSCNDEV-UHFFFAOYSA-N
InChI	InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
SMILES	O=C1C=CC2=CC=C(O)C=C2O1

MNX internals

InChI (mnx)	InChI=1/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
SMILES (mnx)	[CH:1]1=[CH:3][C:7]([OH:10])=[CH:5][C:8]2=[C:6]1[CH:2]=[CH:4][C:9](=[O:11])[O:12]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-76452 reactomeM:R-ALL-76452 CHEBI:27510 chebi:27510 ORHBXUUXSCNDEV-UHFFFAOYSA-N	umbelliferone 7-Hydroxycoumarin 7-hydroxy-2H-1-benzopyran-2-one 7-hydroxy-2H-chromen-2-one Umbelliferone beta-umbelliferone hydrangin skimmetin
bigg.metabolite:hcoumarin biggM:hcoumarin ORHBXUUXSCNDEV-UHFFFAOYSA-N	Umbelliferone 7-Hydroxy-2H-1-Benzopyran-2-one
hmdb:HMDB0029865 ORHBXUUXSCNDEV-UHFFFAOYSA-N	Umbelliferone 7-Hydroxy-2H-1-benzopyran-2-one 7-Hydroxy-2H-chromen-2-one 7-Hydroxy-coumarin 7-Hydroxycoumarin 7-Hydroxycoumarin sulfate 7-Hydroxycoumarin sulphate 7-Hydroxycoumarin, 14C-labeled 7-Oxycoumarin 7-hydroxy-2H-chromen-2-one Hydrangin Hydrangine Skimmetin Skimmetine Umbelliferon Umbelliferone (hydrangin, skimmetin) b-Umbelliferone beta -Umbelliferone beta-Umbelliferone beta-umbelliferone umbelliferone
sabiork.compound:11405 sabiorkM:11405 kegg.compound:C09315 keggC:C09315 ORHBXUUXSCNDEV-UHFFFAOYSA-N	Umbelliferone 7-Hydroxycoumarin
seed.compound:cpd06210 seedM:cpd06210 ORHBXUUXSCNDEV-UHFFFAOYSA-N	Umbelliferone 7-Hydroxycoumarin 7-hydroxy-1-benzopyran-2-one 7-hydroxycoumarin 7-oxycoumarin hydrangin skimmetin umbelliferone
metacyc.compound:CPD-8186 metacycM:CPD-8186 ORHBXUUXSCNDEV-UHFFFAOYSA-N	umbelliferone 7-hydroxy-1-benzopyran-2-one 7-hydroxycoumarin hydrangin skimmetin
vmhM:hcoumarin vmhmetabolite:hcoumarin ORHBXUUXSCNDEV-UHFFFAOYSA-N	umbelliferone 7-hydroxy-2H-chromen-2-one
hmdb:HMDB29865 chebi:27187 chebi:27188 chebi:9858 biggM:M_hcoumarin keggC:M_C09315 seedM:M_cpd06210 vmhM:M_hcoumarin	secondary/obsolete/fantasy identifier