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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G-5-O-4-G

G-5-O-4-G synonyms

G-5-O-4-G

Wikipedia:

Graphical representations:

G-5-O-4-G image

View large 3D structure

Molecular Formula: C20 H26 O5

Natural Isotopic Abundance Mass: 346.41744

Mono-Isotopic Molecular Masses:

  • C12N14: 346.1780239451
  • C13N14: 366.2451207011
  • C12N15: 346.1780239451
  • C13N15: 366.2451207011

InChI String: InChI=1/C20H26O5/c1-5-7-13-8-9-16(17(10-13)23-3)25-19-12-14(15(21)6-2)11-18(24-4)20(19)22/h8-12,15,21-22H,5-7H2,1-4H3

Canonical and Isomeric SMILES: CCCC1=CC(=C(C=C1)OC2=CC(=CC(=C2O)OC)C(CC)O)OC

Lignin abbreviation
G-5-O-4-G

PubChem Substance (SID):   111678039
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 273
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773