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_21

Graphical representations:

lignin_cw_compound_21 image

Molecular Formula: C18 H20 O7

Natural Isotopic Abundance Mass: 348.3472

Mono-Isotopic Molecular Masses:

  • C12N14: 348.1209029967
  • C13N14: 366.1812900771
  • C12N15: 348.1209029967
  • C13N15: 366.1812900771

InCHi String: InChI=1/C19H22O8/c1-23-12-6-5-7-13(24-2)19(12)27-16(10-20)17(21)11-8-14(25-3)18(22)15(9-11)26-4/h5-9,16,20,22H,10H2,1-4H3

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

Beilstein
2-(2,6-Dimethoxyphenoxy)-3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one

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 21
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.