sinapinic acid

• sinapinic acid
• bmse000594 - data
• bmse010209 - data

InCHi String:
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)/b4-3+

canonical SMILES:
COC1=CC(=CC(=C1O)OC)C=CC(=O)O
isomeric SMILES:
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O


PUBCHEM iupac NAME
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid

PUBCHEM iupac TRADITIONAL NAME
(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid

PUBCHEM iupac CAS NAME
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid



PubChem Substance (SID):   111677751   7890641   3765
PubChem Compound (CID):   637775
KEGG: Compound ID   C00482
CAS Registry IDs:   530-59-6
PDB Chemical Component   SXX
Miscellaneous Databases and IDs:   ChEBI CHEBI:15714   ZINC ZINC00153654   SMID SXX   ChemSpider 553361   NMRShiftDB 20035521   NIST Chemistry WebBook 351825418   MMCD cq_00339