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

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4-methylumbelliferyl acetate

	Properties	Image
MNX_ID	MNXM4371
reference	chebi:17763
formula	C₁₂H₁₀O₄
global charge	0
mol weight	218.208
InChIKey	HXVZGASCDAGAPS-UHFFFAOYSA-N
InChI	InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
SMILES	CC(=O)OC1=CC2=C(C=C1)C(C)=CC(=O)O2

MNX internals

InChI (mnx)	InChI=1/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
SMILES (mnx)	[CH3:1][C:7]1=[CH:5][C:12](=[O:14])[O:16][C:11]2=[C:10]1[CH:4]=[CH:3][C:9]([O:15][C:8]([CH3:2])=[O:13])=[CH:6]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17763 chebi:17763 HXVZGASCDAGAPS-UHFFFAOYSA-N	4-methylumbelliferyl acetate 4-Methylumbelliferyl acetate 4-methyl-2-oxo-2H-chromen-7-yl acetate 4-methyl-7-acetyloxy coumarin 7-(Acetyloxy)-4-methyl-2-benzopyrone 7-(acetyloxy)-4-methyl-2H-1-benzopyran-2-one 7-Acetoxy-4-methylcoumarin 7-acetoxy-4-methylchromen-2-one beta-Methylumbelliferyl acetate
sabiork.compound:6884 sabiorkM:6884 kegg.compound:C03837 keggC:C03837 HXVZGASCDAGAPS-UHFFFAOYSA-N	4-Methylumbelliferyl acetate
hmdb:HMDB0032989 HXVZGASCDAGAPS-UHFFFAOYSA-N	4-Methylumbelliferyl acetate 4-MUA 4-Methyl-7-acetyloxy coumarin 4-Methylumbelliferyl acetic acid 4-methyl-2-oxo-2H-chromen-7-yl acetate 4-methylumbelliferyl acetate 7-(Acetyloxy)-4-methyl-2-benzopyrone 7-(Acetyloxy)-4-methyl-2H-1-benzopyran-2-one 7-Acetoxy-4-methyl-2H-1-benzopyran-2-one 7-Acetoxy-4-methylchromen-2-one 7-Acetoxy-4-methylcoumarin 7AMC b-Methylumbelliferyl acetate b-Methylumbelliferyl acetic acid beta-Methylumbelliferyl acetate beta-Methylumbelliferyl acetic acid beta-methylumbelliferyl acetate beta-methylumbelliferyl acetic acid
vmhM:4mbfrlact vmhmetabolite:4mbfrlact HXVZGASCDAGAPS-UHFFFAOYSA-N	4-Methylumbelliferyl acetate 4-methyl-2-oxo-2H-chromen-7-yl acetate
seed.compound:cpd02393 seedM:cpd02393 HXVZGASCDAGAPS-UHFFFAOYSA-N	4-Methylumbelliferyl acetate 4-methylumbelliferyl acetate
metacyc.compound:CPD-181 metacycM:CPD-181 HXVZGASCDAGAPS-UHFFFAOYSA-N	4-methylumbelliferyl acetate
hmdb:HMDB32989 chebi:110551 chebi:12031 chebi:1906 chebi:20453 keggC:M_C03837 seedM:M_cpd02393 vmhM:M_4mbfrlact	secondary/obsolete/fantasy identifier