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_276 synonyms



Graphical representations:

lignin_cw_compound_276 image

Molecular Formula: C21 H22 O8

Natural Isotopic Abundance Mass: 402.39458

Mono-Isotopic Molecular Masses:

  • C12N14: 402.131467683
  • C13N14: 423.2019192768
  • C12N15: 402.131467683
  • C13N15: 423.2019192768

InCHi String: InChI=1/C21H22O8/c1-6-17(28-11(2)22)13-7-16(21(29-12(3)23)19(8-13)27-5)15-9-14(24)10-18(26-4)20(15)25/h7-10,17H,6H2,1-5H3

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

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 276
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.