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_294 synonyms



Graphical representations:

lignin_cw_compound_294 image

Molecular Formula: C15 H20 O6

Natural Isotopic Abundance Mass: 296.3157

Mono-Isotopic Molecular Masses:

  • C12N14: 296.1259883746
  • C13N14: 311.1763109416
  • C12N15: 296.1259883746
  • C13N15: 311.1763109416

InCHi String: InChI=1/C15H20O6/c1-6-12(20-9(2)16)11-7-13(18-4)15(21-10(3)17)14(8-11)19-5/h7-8,12H,6H2,1-5H3

Canonical and Isomeric SMILES: CCC(C1=CC(=C(C(=C1)OC)OC(C)=O)OC)OC(C)=O

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 294
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.