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_3019

Graphical representations:

lignin_cw_compound_3019 image

Molecular Formula: C30 H30 O9

Natural Isotopic Abundance Mass: 534.5538

Mono-Isotopic Molecular Masses:

  • C12N14: 534.1889825619
  • C13N14: 564.2896276959
  • C12N15: 534.1889825619
  • C13N15: 564.2896276959

InCHi String: InChI=1/C30H30O9/c1-35-26-18-22(10-15-25(26)32)30(39-24-13-6-21(7-14-24)9-17-29(34)37-3)27(19-31)38-23-11-4-20(5-12-23)8-16-28(33)36-2/h4-18,27,30-32H,19H2,1-3H3/b16-8+,17-9+

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C(C(CO)OC2=CC=C(C=C2)C=CC(=O)OC)OC3=CC=C(C=C3)C=CC(=O)OC)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 3019
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.