trans-caffeate

<i>trans</i>-caffeate




Chemical Formula:
C9H7O4
Molecular Weight:
179.152 Daltons
Monoisotopic Mass:
180.0422587452 Daltons
SMILES:
C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)
InChI:
1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/p-1/b4-2+
InChIKey:
QAIPRVGONGVQAS-DUXPYHPUSA-M

Synonyms
  • trans-caffeic acid
  • 3,4-dihydroxy-trans-cinnamate
  • (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  • Caffeate

Databases
MetaCyc:  CPD-676
MetaboLights:  MTBLC57770
HMDB:  HMDB03501
ChemSpider:  4450294
PubChem (CID):  54691412
ChEBI:  57770 16433
KEGG:  C01197
MetaNetX:  MNXM890
PupChem (SID):  4422
CHEMBL:  CHEMBL145
KNApSAcK:  C00000615
PDB-CCD:  DHC
3DMET:  B00258
NIKKAJI:  J1.524E