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_131

Graphical representations:

lignin_cw_compound_131 image

Molecular Formula: C19 H24 O7

Natural Isotopic Abundance Mass: 364.38966

Mono-Isotopic Molecular Masses:

  • C12N14: 364.1522031251
  • C13N14: 383.2159450433
  • C12N15: 364.1522031251
  • C13N15: 383.2159450433

InCHi String: InChI=1/C19H24O7/c1-11(21)12-5-7-15(17(8-12)25-3)26-18(10-20)19(23)13-4-6-14(22)16(9-13)24-2/h4-9,11,18-23H,10H2,1-3H3

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

Beilstein
1-(4-hydroxy-3-methoxyphenyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propane-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 131
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.