Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2-(Hydroxymethyl)anthraquinone synonyms


Graphical representations:


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Molecular Formula: C15H10O3

Natural Isotopic Abundance Mass: 238.2381

Mono-Isotopic Molecular Masses:

  • C12N14: 238.06299418
  • C13N14: 253.11331675
  • C12N15: 238.06299418
  • C13N15: 253.11331675

InChI string: InChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2

IUPAC: 2-(hydroxymethyl)anthracene-9,10-dione

PubChem Compound (CID): 87014

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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,