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

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methyl vanillate

	Properties	Image
MNX_ID	MNXM61813
reference	chebi:46477
formula	C₉H₁₀O₄
global charge	0
mol weight	182.175
InChIKey	BVWTXUYLKBHMOX-UHFFFAOYSA-N
InChI	InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
SMILES	COC(=O)C1=CC(OC)=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
SMILES (mnx)	[CH3:1][O:12][C:8]1=[C:7]([OH:10])[CH:4]=[CH:3][C:6]([C:9](=[O:11])[O:13][CH3:2])=[CH:5]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:46477 chebi:46477 BVWTXUYLKBHMOX-UHFFFAOYSA-N	methyl vanillate 4-Hydroxy-3-methoxybenzoic acid methyl ester Vanillic acid, methyl ester methyl 3-methoxy-4-hydroxybenzoate methyl 4-hydroxy-3-methoxybenzoate methyl vanillic acid
hmdb:HMDB0240266 BVWTXUYLKBHMOX-UHFFFAOYSA-N	Methyl vanillate 4-Hydroxy-3-methoxy methyl benzoate 4-Hydroxy-3-methoxy methyl benzoic acid 4-Hydroxy-3-methoxybenzoate methyl ester 4-Hydroxy-3-methoxybenzoic acid methyl ester Methyl 3-methoxy-4-hydroxybenzoate Methyl 3-methoxy-4-hydroxybenzoic acid Methyl 4-hydroxy-3-methoxybenzoate Methyl 4-hydroxy-3-methoxybenzoic acid Methyl vanillic acid Methylvanillate Methylvanillic acid VANILLATE VANILLic acid Vanillate, methyl ester Vanillic acid, methyl ester methyl 4-hydroxy-3-methoxybenzoate vanillate