BMRB

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_1001

Graphical representations:

lignin_cw_compound_1001 image

Molecular Formula: C26 H26 O8

Natural Isotopic Abundance Mass: 466.47984

Mono-Isotopic Molecular Masses:

  • C12N14: 466.1627678114
  • C13N14: 492.2499935942
  • C12N15: 466.1627678114
  • C13N15: 492.2499935942

InCHi String: InChI=1/C26H26O8/c1-31-21-5-3-4-6-22(21)33-24(16-27)26(18-10-13-20(29)23(15-18)32-2)34-25(30)14-9-17-7-11-19(28)12-8-17/h3-15,24,26-29H,16H2,1-2H3/b14-9+

Canonical and Isomeric SMILES: COC1=CC=CC=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)OC(C=CC3=CC=C(C=C3)O)=O

Beilstein
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 1001
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.