Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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lignin_cw_compound_3039 synonyms



Graphical representations:

lignin_cw_compound_3039 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: InChI=1/C20H20O7/c1-13(22)26-16-9-8-14(11-19(16)25-4)10-15(12-21)27-20-17(23-2)6-5-7-18(20)24-3/h5-12H,1-4H3/b15-10-

Canonical and Isomeric SMILES: CC(=O)OC1=C(C=C(C=C1)C=C(C=O)OC2=C(C=CC=C2OC)OC)OC

To be defined

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 3039
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.