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

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3,4-dihydrocoumarin

	Properties	Image
MNX_ID	MNXM2778
reference	chebi:16151
formula	C₉H₈O₂
global charge	0
mol weight	148.161
InChIKey	VMUXSMXIQBNMGZ-UHFFFAOYSA-N
InChI	InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
SMILES	O=C1CCC2=CC=CC=C2O1

MNX internals

InChI (mnx)	InChI=1/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]2[C:7](=[CH:3]1)[CH2:5][CH2:6][C:9](=[O:10])[O:11]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16151 chebi:16151 VMUXSMXIQBNMGZ-UHFFFAOYSA-N	3,4-dihydrocoumarin 1,2-benzodihydropyrone 2-chromanone 2-hydroxydihydrocinnamic acid lactone 3,4-Dihydrocoumarin 3,4-dihydro-2H-1-benzopyran-2-one 3,4-dihydro-2H-chromen-2-one Dihydrocoumarin benzodihydropyrone chroman-2-one hydrocoumarin melilotic acid lactone melilotic lactone melilotin melilotol o-hydroxydihydrocinnamic acid lactone o-hydroxyhydrocinnamic acid delta-lactone oxochroman
hmdb:HMDB0036626 VMUXSMXIQBNMGZ-UHFFFAOYSA-N	3,4-Dihydro-2H-1-benzopyran-2-one 1,2-Benzodihydropyrone 2-Hydroxydihydrocinnamate lactone 2-Hydroxydihydrocinnamic acid lactone 2-Hydroxyhydrocinnamic lactone 3,4-Dihydro-2H-chromen-2-one 3,4-Dihydrocoumarin 3,4-Dihydroxycoumarin 3,4-dihydro-1-Benzopyran-2-one 3,4-dihydro-2H-1-benzopyran-2-one 3,4-dihydro-Coumarin Benzodihydropyrone Dihydrocoumarin FEMA 2381 Hydrocinnamic acid, O-hydroxy-, delta-lactone Hydrocoumarin Hydrocoumarin, 8ci Melilotate lactone Melilotic acid lactone Melilotic lactone Melilotin Melilotin (coumarin) Melilotin?? Melilotol O-Hydroxydihydrocinnamate lactone O-Hydroxydihydrocinnamic acid lactone O-Hydroxyhydrocinnamate delta-lactone O-Hydroxyhydrocinnamic acid delta-lactone O-Hydroxyhydrocinnamic acid lactone dihydro-Benzopyranone dihydrocoumarin
envipath:...99cef1f8e06f envipathM:...99cef1f8e06f VMUXSMXIQBNMGZ-UHFFFAOYSA-N	3,4-Dihydrocoumarin
metacyc.compound:DIHYDROCOUMARIN metacycM:DIHYDROCOUMARIN VMUXSMXIQBNMGZ-UHFFFAOYSA-N	3,4-dihydrocoumarin 1,2-benzodihydropyrone 2-chromanone 2-hydroxydihydrocinnamic acid lactone 3,4-dihydro-2H-1-benzopyran-2-one hydrocoumarin melilotic lactone melilotin melilotol meliotine o-hydroxydihydrocinnamic acid lactone
seed.compound:cpd01533 seedM:cpd01533 VMUXSMXIQBNMGZ-UHFFFAOYSA-N	Dihydrocoumarin 1,2-benzodihydropyrone 2-chromanone 2H-1-benzopyran-2-one, 3,4-dihydro- 3,4-Dihydrocoumarin 3,4-dihydrocoumarin dihydrocoumarin hydrocinnamic acid, o-hydroxy-,lactone hydrocoumarin melilotic lactone melilotin melilotol meliotine
kegg.compound:C02274 keggC:C02274 VMUXSMXIQBNMGZ-UHFFFAOYSA-N	Dihydrocoumarin 3,4-Dihydrocoumarin
envipath:...394f29895592 envipathM:...394f29895592 VMUXSMXIQBNMGZ-UHFFFAOYSA-N	compound 0060812
hmdb:HMDB36626 chebi:14147 chebi:23737 chebi:4560 keggC:M_C02274 seedM:M_cpd01533	secondary/obsolete/fantasy identifier