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_3053

lignin_cw_compound_3053 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3053 image

Molecular Formula: C18 H20 O6

Natural Isotopic Abundance Mass: 332.3478

Mono-Isotopic Molecular Masses:

  • C12N14: 332.1259883746
  • C13N14: 350.186375455
  • C12N15: 332.1259883746
  • C13N15: 350.186375455

InCHi String: InChI=1/C18H20O6/c1-21-15-5-4-6-16(22-2)18(15)24-13(11-19)9-12-7-8-14(20)17(10-12)23-3/h4-10,19-20H,11H2,1-3H3/b13-9-

Canonical and Isomeric SMILES: COC1=C(C(=CC=C1)OC)OC(=CC2=CC(=C(C=C2)O)OC)CO

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 3053
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.