Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Veratrone Acetate

Veratrone Acetate synonyms

Veratrone acetate


Graphical representations:

Veratrone acetate image

View large 3D structure

Molecular Formula: C20 H22 O7

Natural Isotopic Abundance Mass: 374.38448

Mono-Isotopic Molecular Masses:

  • C12N14: 374.1365530609
  • C13N14: 394.2036498169
  • C12N15: 374.1365530609
  • C13N15: 394.2036498169

InChI String: InChI=1/C20H22O7/c1-13(21)26-12-19(27-17-8-6-5-7-15(17)23-2)20(22)14-9-10-16(24-3)18(11-14)25-4/h5-11,19H,12H2,1-4H3

Canonical and Isomeric SMILES: SMILES_STRING

Veratrone acetate

PubChem Substance (SID):   111677976
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 163
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,