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_3047

Lignin_cw_compound_3047 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3047 image

Molecular Formula: C15 H20 O3 S2

Natural Isotopic Abundance Mass: 312.4475

Mono-Isotopic Molecular Masses:

  • C12N14: 312.0853858883
  • C13N14: 327.1357084553
  • C12N15: 312.0853858883
  • C13N15: 327.1357084553

InCHi String: InChI=1/C15H20O3S2/c1-5-19-11-8-9-7-10(17-3)13(16)14(18-4)12(9)15(11)20-6-2/h7-8,15-16H,5-6H2,1-4H3

Canonical and Isomeric SMILES: CSC2=CC1=CC(=C(C(=C1C2SCC)OC)O)OC

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 3047
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.