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

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4-methylumbelliferone

	Properties	Image
MNX_ID	MNXM3866
reference	chebi:17224
formula	C₁₀H₈O₃
global charge	0
mol weight	176.171
InChIKey	HSHNITRMYYLLCV-UHFFFAOYSA-N
InChI	InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
SMILES	CC1=CC(=O)OC2=C1C=CC(O)=C2

MNX internals

InChI (mnx)	InChI=1/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
SMILES (mnx)	[CH3:1][C:6]1=[CH:4][C:10](=[O:12])[O:13][C:9]2=[C:8]1[CH:3]=[CH:2][C:7]([OH:11])=[CH:5]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	35
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17224 chebi:17224 HSHNITRMYYLLCV-UHFFFAOYSA-N	4-methylumbelliferone 4-MU 4-Methyl-7-hydroxycoumarin 4-Methylumbelliferone 7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran 7-Hydroxy-4-methyl-2-oxo-3-chromene 7-Hydroxy-4-methyl-2H-1-benzopyran-2-one 7-Hydroxy-4-methylcoumarin 7-hydroxy-4-methyl-2H-chromen-2-one Hymecromone Imecromone beta-Methylumbelliferone himecromona hymecromone hymecromonum
hmdb:HMDB0059622 HSHNITRMYYLLCV-UHFFFAOYSA-N	4-Methylumbelliferone 4 Methylumbelliferone 4-MU 4-Methyl-7-hydroxycoumarin 4-methylumbelliferone 7 Hydroxy 4 methyl coumarin 7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran 7-Hydroxy-4-methyl-2-oxo-3-chromene 7-Hydroxy-4-methyl-2H-1-benzopyran-2-one 7-Hydroxy-4-methyl-coumarin 7-Hydroxy-4-methylcoumarin 7-hydroxy-4-methyl-2H-chromen-2-one Cantabiline Cholestil Himecromona Hymecromone Hymecromonum Imecromone Mendiaxon Methylumbelliferone Resocyanine b-Methylumbelliferone beta-Methylumbelliferone beta-methylumbelliferone
sabiork.compound:6439 sabiorkM:6439 HSHNITRMYYLLCV-UHFFFAOYSA-N	4-Methylumbelliferone 4-Methylumbelliferol Hymecromone p-Methylumbelliferol
kegg.compound:C03081 keggC:C03081 HSHNITRMYYLLCV-UHFFFAOYSA-N	4-Methylumbelliferone Hymecromone
metacyc.compound:CPD-182 metacycM:CPD-182 HSHNITRMYYLLCV-UHFFFAOYSA-N	4-methylumbelliferone Hymecromone
vmhM:hymcrmn vmhmetabolite:hymcrmn HSHNITRMYYLLCV-UHFFFAOYSA-N	Hymecromone
kegg.drug:D00170 keggD:D00170 HSHNITRMYYLLCV-UHFFFAOYSA-N	Hymecromone (JP18/USAN/INN) Cantabiline (TN)
seed.compound:cpd01976 seedM:cpd01976 HSHNITRMYYLLCV-UHFFFAOYSA-N	Hymecromone 4-Methylumbelliferone 4-methylumbelliferone
hmdb:HMDB59622 chebi:110550 chebi:12030 chebi:1903 chebi:20452 keggC:M_C03081 keggD:M_D00170 seedM:M_cpd01976 vmhM:M_hymcrmn	secondary/obsolete/fantasy identifier