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_3004

Lignin_cw_compound_3004 synonyms

1,2-diguaiacylpropane-1,3-diol

Wikipedia:

Graphical representations:

lignin_cw_compound_3004 image

Molecular Formula: C17 H20 O6

Natural Isotopic Abundance Mass: 320.3371

Mono-Isotopic Molecular Masses:

  • C12N14: 320.1259883746
  • C13N14: 337.1830206172
  • C12N15: 320.1259883746
  • C13N15: 337.1830206172

InCHi String: InChI=1/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3

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

Beilstein
1,2-diguaiacylpropane-1,3-diol

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 3004
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.