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_3017

Graphical representations:

lignin_cw_compound_3017 image

Molecular Formula: C20 H20 O6

Natural Isotopic Abundance Mass: 356.3692

Mono-Isotopic Molecular Masses:

  • C12N14: 356.1259883746
  • C13N14: 376.1930851306
  • C12N15: 356.1259883746
  • C13N15: 376.1930851306

InCHi String: InChI=1/C20H20O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-4,6-8,13-14,19,21-22H,5,9H2,1-2H3

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C3C2=CC(=C(C=C2CC4C3COC4=O)OC)O)O

Beilstein
6-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3a,4,9,9a-tetrahydro-3H-naphtho[2,3-c]furan-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 3017
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.