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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2-methylnaphthalene-1,4-dione

2-methylnaphthalene-1,4-dione synonyms

Menadione

Wikipedia:

Graphical representations:

2-methylnaphthalene-1,4-dione image

View large 3D structure

Molecular Formula: C11H8O2

Natural Isotopic Abundance Mass: 172.18002

Mono-Isotopic Molecular Masses:

  • C12N14: 172.052429496
  • C13N14: 183.089332714
  • C12N15: 172.052429496
  • C13N15: 183.089332714

InChI String: InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   4055
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   VK3
Miscellaneous Databases and IDs:   MMCD cq_02997

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