BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

syringic acid

Graphical representations:

syringic acid image

Molecular Formula: C9 H10 O5

Natural Isotopic Abundance Mass: 198.1727

Mono-Isotopic Molecular Masses:

  • C12N14: 198.0528234315
  • C13N14: 207.0830169717
  • C12N15: 198.0528234315
  • C13N15: 207.0830169717

InCHi String: InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)

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

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
4-hydroxy-3,5-dimethoxybenzoic acid

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
4-hydroxy-3,5-dimethoxy-benzoic acid

PubChem Substance (SID):   85165375   48035435   154045
PubChem Compound (CID):   10742
KEGG: Compound ID   C10833
CAS Registry IDs:   530-57-4   64887-60-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChemIDplus 000530574   EINECS 208-486-8   NMRShiftDB 20040774   Beilstein Handbook Reference 4-10-00-01995   ChemDB 4260176   NIST Chemistry WebBook 2520291272   MMCD cq_07498

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.