Vanillactic acid (CHEBI:88526)

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ChEBI Name	Vanillactic acid

ChEBI ID	CHEBI:88526

Stars	This entity has been manually annotated by a third party.

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Formula

C10H12O5

Net Charge

Average Mass

212.200

Monoisotopic Mass

212.06847

InChI

InChI=1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14)

InChIKey

SVYIZYRTOYHQRE-UHFFFAOYSA-N

SMILES

C(C(O)CC=1C=C(C(=CC1)O)OC)(=O)O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Vanillactic acid (CHEBI:88526) has functional parent pyruvic acid (CHEBI:32816) Vanillactic acid (CHEBI:88526) is a 2-oxo monocarboxylic acid (CHEBI:35910)

Synonyms	Sources
2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid	HMDB
3-(3-Methoxy-4-hydroxyphenyl)lactate	HMDB
3-(3-Methoxy-4-hydroxyphenyl)lactic acid	HMDB
3-(4-Hydroxy-3-methoxyphenyl)-Lactate	HMDB
3-(4-Hydroxy-3-methoxyphenyl)-Lactic acid	HMDB
3-(4-Hydroxy-3-methoxyphenyl)lactate	HMDB
3-(4-Hydroxy-3-methoxyphenyl)lactic acid	HMDB
3-Methoxy-4-hydroxyphenyllactate	HMDB
3-Methoxy-4-hydroxyphenyllactic acid	HMDB
4-Hydroxy-3-methoxyphenyllactic acid	HMDB
b-(4-Hydroxy-3-methoxyphenyl)lactate	HMDB
b-(4-Hydroxy-3-methoxyphenyl)lactic acid	HMDB
beta-(4-Hydroxy-3-methoxyphenyl)lactate	HMDB
beta-(4-Hydroxy-3-methoxyphenyl)lactic acid	HMDB
Vanillactate	HMDB
Vanillyllactate	HMDB
Vanillyllactic acid	HMDB
VLA	HMDB

Registry Number	Type	Source
2475-56-1	CAS Registry Number	KEGG COMPOUND