homovanillate
Chemical Formula:
C9H9O4
Molecular Weight:
181.168 Daltons
Monoisotopic Mass:
182.0579088094 Daltons
SMILES:
COC1(=C(C=CC(=C1)CC([O-])=O)O)
InChI:
1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/p-1
InChIKey:
Synonyms
- homovanillic acid
- vanillacetic acid
- 3-methoxy-4-hydroxyphenylacetate
- 3-methoxy-4-hydroxyphenylacetic acid
- 4-hydroxy-3-methoxyphenylacetic acid
- 4-hydroxy-3-methoxybenzenacetic acid
Databases
MetaCyc:
CPD-7651
RefMet:
Homovanillic acid
ChEBI:
133744
HMDB:
HMDB00118
ChemSpider:
5323114
KEGG:
C05582
Seed:
cpd03312
MetaNetX:
MNXM3287