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_1010

Graphical representations:

lignin_cw_compound_1010 image

Molecular Formula: C31 H30 O11

Natural Isotopic Abundance Mass: 578.5633

Mono-Isotopic Molecular Masses:

  • C12N14: 578.1788118061
  • C13N14: 609.2828117779
  • C12N15: 578.1788118061
  • C13N15: 609.2828117779

InCHi String: InChI=1/C31H30O11/c1-19(32)40-25-13-10-21(16-27(25)37-4)11-15-30(34)39-18-29(42-24-9-7-6-8-23(24)36-3)31(35)22-12-14-26(41-20(2)33)28(17-22)38-5/h6-17,29H,18H2,1-5H3/b15-11+

Canonical and Isomeric SMILES: CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OCC(C(C2=CC(=C(C=C2)OC(C)=O)OC)=O)OC3=CC=CC=C3OC)OC

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 1010
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.