Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Dehydrodiveratric Acid

Graphical representations:

Dehydrodiveratric acid image

Molecular Formula: C18 H18 O8

Natural Isotopic Abundance Mass: 362.33072

Mono-Isotopic Molecular Masses:

  • C12N14: 362.1001675546
  • C13N14: 380.160554635
  • C12N15: 362.1001675546
  • C13N15: 380.160554635

InCHi String:

Canonical and Isomeric SMILES: COC1=CC(=CC(=C1OC)C2=C(C(=CC(=C2)C(O)=O)OC)OC)C(O)=O

Dehydrodiveratric acid

PubChem Substance (SID):   111678069
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 72
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.