BMRB

Biological Magnetic Resonance Data Bank


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

Gallic Acid

Graphical representations:

Gallic acid image

Molecular Formula: C7 H6 O5

Natural Isotopic Abundance Mass: 170.11954

Mono-Isotopic Molecular Masses:

  • C12N14: 170.0215233031
  • C13N14: 177.0450071677
  • C12N15: 170.0215233031
  • C13N15: 177.0450071677

InCHi String: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)

canonical and isomeric SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
3,4,5-trihydroxybenzoic acid

PubChem Substance (SID):   85165182   36539543   11494156
PubChem Compound (CID):   370
KEGG: Compound ID   C01424
CAS Registry IDs:   149-91-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich G7384_SIGMA   ChEBI CHEBI:30778   CambridgeSoft Corporation 3715   EPA DSSTox 650   ChemBank Spectrum_000342   HSDB 2117   BioCyc CPD-183   ChemSpider 13872868   BIND 331   CCRIS 5523   NMRShiftDB 20040802   NIST Chemistry WebBook 647602544

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.