vanillyl mandelate
Chemical Formula:
C9H9O5
Molecular Weight:
197.167 Daltons
Monoisotopic Mass:
198.0528234315 Daltons
SMILES:
COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])
InChI:
1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/p-1/t8-/m1/s1
InChIKey:
Synonyms
- 4-hydroxy-3-methoxymandelate
- vanillylmandelic acid
- 3-methoxy-4-hydroxymandelate
Databases
MetaCyc:
VANILLYL_MANDELATE
PubChem (CID):
6931438
MetaboLights:
MTBLC27622
HMDB:
HMDB00291
ChemSpider:
19951553
ChEBI:
27622
KEGG:
C05584
CAS:
55-10-7
Seed:
cpd03314
MetaNetX:
MNXM3383