Biological Magnetic Resonance Data Bank

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

Daphnetin Diacetate synonyms


Graphical representations:

Daphnetin diacetate image

View large 3D structure

Molecular Formula: C13H10O6

Natural Isotopic Abundance Mass: 262.2149

Mono-Isotopic Molecular Masses:

  • C12N14: 262.04773804
  • C13N14: 275.091350934
  • C12N15: 262.04773804
  • C13N15: 275.091350934

InChI String: InChI=1S/C13H10O6/c1-7(14)17-10-5-3-9-4-6-11(16)19-12(9)13(10)18-8(2)15/h3-6H,1-2H3


PubChem Substance (SID):   n/a
PubChem Compound (CID):   327277
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
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,