Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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5-hydroxy-2-methylnaphthalene-1,4-dione synonyms



Graphical representations:

5-hydroxy-2-methylnaphthalene-1,4-dione image

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Molecular Formula: C11H8O3

Natural Isotopic Abundance Mass: 188.17942

Mono-Isotopic Molecular Masses:

  • C12N14: 188.047344116
  • C13N14: 199.084247334
  • C12N15: 188.047344116
  • C13N15: 199.084247334

InChI String: InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3


PubChem Substance (SID):   n/a
PubChem Compound (CID):   153450
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_07055

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,