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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1-hydroxyanthracene-9,10-dione

1-hydroxyanthracene-9,10-dione synonyms

1-Hydroxyanthra-9,10-quinone

Wikipedia:

Graphical representations:

1-hydroxyanthracene-9,10-dione image

View large 3D structure

Molecular Formula: C14H8O3

Natural Isotopic Abundance Mass: 224.21152

Mono-Isotopic Molecular Masses:

  • C12N14: 224.047344116
  • C13N14: 238.094311848
  • C12N15: 224.047344116
  • C13N15: 238.094311848

InChI String: InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   8512
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, https://www.nature.com/articles/sdata201773