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

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coumarin

	Properties	Image
MNX_ID	MNXM2111
reference	chebi:28794
formula	C₉H₆O₂
global charge	0
mol weight	146.145
InChIKey	ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
InChI	InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
SMILES	O=C1C=CC2=C(C=CC=C2)O1

MNX internals

InChI (mnx)	InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]2[C:7](=[CH:3]1)[CH:5]=[CH:6][C:9](=[O:10])[O:11]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-3296399 reactomeM:R-ALL-3296399 reactome:R-ALL-76328 reactomeM:R-ALL-76328 CHEBI:28794 chebi:28794 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N	coumarin 1,2-Benzopyrone 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone 2H-1-Benzopyran-2-one 2H-benzo[b]pyran-2-one 2H-chromen-2-one 5,6-Benzo-2-pyrone Benzo-a-pyrone Benzo-alpha-pyrone Coumarine Coumarinic anhydride Cumarin Rattex Tonka bean camphor cis-o-Coumarinic acid lactone o-Hydroxycinnamic acid lactone o-hydroxycinnamic acid delta-lactone
kegg.drug:D07751 keggD:D07751 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N	Coumarin (DCF) Venalot mono (TN)
hmdb:HMDB0001218 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N	Coumarin 1, 2-Benzopyrone 1,2-Benzopyrone 2-Propenoate, 3-(2-hydroxyphenyl)-, D-lactone 2-Propenoate, 3-(2-hydroxyphenyl)-, delta-lactone 2-Propenoic acid, 3-(2-hydroxyphenyl)-, D-lactone 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone 2-oxo-1,2-Benzopyran 2-oxo-2H-1-Benzopyran 2H-1-Benzopyran-2-one 2H-Benzo[b]pyran-2-one 2H-Chromen-2-one 2H-Chromen-2-one (acd/name 4.0) 2H-chromen-2-one 5,6-Benzo-2-pyrone 5,6-Benzo-alpha-pyrone Benzo-a-pyrone Benzo-alpha-pyrone Coumarine Coumarinic anhydride Cumarin Kumarin O-Hydroxycinnamate delta-lactone O-Hydroxycinnamate lactone O-Hydroxycinnamic acid delta-lactone O-Hydroxycinnamic acid lactone O-Hydroxycinnamic lactone O-Hydroxyzimtsaure-lacton Rattex Tonka bean camphor Venalot mono cis-O-Coumarinate lactone cis-O-Coumarinic acid lactone coumarin {2h-benzo[b]pyran-2-one}
sabiork.compound:8206 sabiorkM:8206 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N	Coumarin 1,2-Benzopyrone 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone 2H-1-Benzopyran-2-one 5,6-Benzo-2-pyrone Benzo-a-pyrone Coumarinic anhydride Cumarin Rattex Tonka bean camphor cis-o-Coumarinic acid lactone o-Hydroxycinnamic acid lactone
kegg.compound:C05851 keggC:C05851 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N	Coumarin 1,2-Benzopyrone 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone 2H-1-Benzopyran-2-one 5,6-Benzo-2-pyrone Benzo-alpha-pyrone Coumarine Coumarinic anhydride Cumarin Rattex Tonka bean camphor cis-o-Coumarinic acid lactone o-Hydroxycinnamic acid lactone
bigg.metabolite:coumarin biggM:coumarin ZYGHJZDHTFUPRJ-UHFFFAOYSA-N	Coumarin 2H-1-Benzopyran-2-one
seed.compound:cpd03479 seedM:cpd03479 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N	Rattex 1,2-Benzopyrone 1,2-benzopyrone 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone 2H-1-Benzopyran-2-one 5,6-Benzo-2-pyrone Benzo-alpha-pyrone Coumarin Coumarine Coumarinic anhydride Cumarin Tonka bean camphor cis-o-Coumarinic acid lactone coumarin cumarin o-Hydroxycinnamic acid lactone
metacyc.compound:Coumarins metacycM:Coumarins ZYGHJZDHTFUPRJ-UHFFFAOYSA-N	a coumarin a 1,2-benzopyrone
metacyc.compound:COUMARIN metacycM:COUMARIN ZYGHJZDHTFUPRJ-UHFFFAOYSA-N	coumarin 1,2-benzopyrone cumarin
vmhM:coumarin vmhmetabolite:coumarin ZYGHJZDHTFUPRJ-UHFFFAOYSA-N	coumarin 2H-chromen-2-one
hmdb:HMDB01218 chebi:101256 chebi:23402 chebi:3906 chebi:41552 biggM:M_coumarin keggC:M_C05851 keggD:M_D07751 seedM:M_cpd03479 vmhM:M_coumarin	secondary/obsolete/fantasy identifier