vanillate

Chemical Formula:

C₈H₇O₄

Molecular Weight:

167.141 Daltons

Monoisotopic Mass:

168.0422587452 Daltons

SMILES:

COC1(=CC(=CC=C(O)1)C(=O)[O-])

InChI:

1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1

InChIKey:

WKOLLVMJNQIZCI-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: VANILLATE

RefMet: Vanillic acid

DRUGBANK: DB02130

HMDB: HMDB00484

ChemSpider: 21708

PubChem (CID): 54675858 8468

ChEBI: 16632 30816

KEGG: C06672

Seed: cpd04073

MetaNetX: MNXM982

CAS: 121-34-6

PupChem (SID): 8897

CHEMBL: CHEMBL120568

KNApSAcK: C00002682

PDB-CCD: VNL

3DMET: B01021

NIKKAJI: J5.337F