coniferaldehyde

coniferaldehyde




Chemical Formula:
C10H10O3
Molecular Weight:
178.187 Daltons
Monoisotopic Mass:
178.06299418729998 Daltons
SMILES:
COC1(=CC(C=CC=O)=CC=C(O)1)
InChI:
1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
InChIKey:
DKZBBWMURDFHNE-NSCUHMNNSA-N

Synonyms
  • 4-hydroxy-3-methoxycinnamaldehyde
  • 4-hydroxy-3-methoxycinnamic aldehyde
  • coniferyl aldehyde
  • Ferulaldehyde

Databases
MetaCyc:  CONIFERYL-ALDEHYDE
RefMet:  Coniferyl aldehyde
MetaboLights:  MTBLC16547
ChemSpider:  4444167
ChEBI:  16547
PubChem (CID):  5280536
KEGG:  C02666
CAS:  458-36-6
Seed:  cpd01733
MetaNetX:  MNXM858
PupChem (SID):  5637
CHEMBL:  CHEMBL242529
KNApSAcK:  C00002728 C00035949
PDB-CCD:  CIY
3DMET:  B00482
NIKKAJI:  J196.170E