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_2034

Lignin_cw_compound_2034 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2034 image

Molecular Formula: C21 H20 O8

Natural Isotopic Abundance Mass: 400.3787

Mono-Isotopic Molecular Masses:

  • C12N14: 400.1158176188
  • C13N14: 421.1862692126
  • C12N15: 400.1158176188
  • C13N15: 421.1862692126

InCHi String: InChI=1/C21H20O8/c1-26-16-9-11(4-6-14(16)22)8-13-18(21(25)28-3)19(29-20(13)24)12-5-7-15(23)17(10-12)27-2/h4-10,18-19,22-23H,1-3H3/b13-8+/t18-,19+/m1/s1

Canonical and Isomeric SMILES: COC1=C(C=CC(=C1)C=C3[C@H]([C@H](C2=CC(=C(C=C2)O)OC)OC3=O)C(=O)OC)O

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 2034
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.