BMRB

Biological Magnetic Resonance Data Bank


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

Lignin_cw_compound_2029

Graphical representations:

lignin_cw_compound_2029 image

Molecular Formula: C20 H20 O7

Natural Isotopic Abundance Mass: 372.3686

Mono-Isotopic Molecular Masses:

  • C12N14: 372.1209029967
  • C13N14: 392.1879997527
  • C12N15: 372.1209029967
  • C13N15: 392.1879997527

InCHi String:

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C4C3COC(C2=CC(=C(C=C2)O)OC)C3C(=O)O4)O

Beilstein
3,6-bis(4-hydroxy-3-methoxyphenyl)-tetrahydro-furo[3,4-c]furan-1-one

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 2029
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.