BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Lignin_cw_compound_2033

Lignin_cw_compound_2033 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2033 image

Molecular Formula: C20 H18 O8

Natural Isotopic Abundance Mass: 386.35212

Mono-Isotopic Molecular Masses:

  • C12N14: 386.1001675546
  • C13N14: 406.1672643106
  • C12N15: 386.1001675546
  • C13N15: 406.1672643106

InCHi String: InChI=1/C20H18O8/c1-26-15-8-10(3-5-13(15)21)7-12-17(19(23)24)18(28-20(12)25)11-4-6-14(22)16(9-11)27-2/h3-9,17-18,21-22H,1-2H3,(H,23,24)/b12-7-/t17-,18+/m1/s1/f/h23H

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)=O)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 2033
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.