sinapate

sinapate




Chemical Formula:
C11H11O5
Molecular Weight:
223.205 Daltons
Monoisotopic Mass:
224.0684734957 Daltons
SMILES:
COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)
InChI:
1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/p-1/b4-3+
InChIKey:
PCMORTLOPMLEFB-ONEGZZNKSA-M

Synonyms
  • 3,5-dimethoxy-4-hydroxycinnamate
  • sinapinate
  • sinapinic acid
  • sinapic acid
  • 3,5-dimethoxy-4-hydroxycinnamic acid
  • 4-hydroxy-3,5-dimethoxycinnamate

Databases
MetaCyc:  SINAPATE
RefMet:  Sinapic acid
HMDB:  HMDB32616
ChemSpider:  4573878
PubChem (CID):  54710960 637775
ChEBI:  30023 15714 77131
KEGG:  C00482
NCI:  59261
CAS:  530-59-6
Seed:  cpd00373
MetaNetX:  MNXM1120
PupChem (SID):  3765
CHEMBL:  CHEMBL109341
KNApSAcK:  C00002776 C00034327
PDB-CCD:  SXX
3DMET:  B01259
NIKKAJI:  J11.713G