Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one synonyms



Graphical representations:

5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one image

View large 3D structure

Molecular Formula: C15H12O5

Natural Isotopic Abundance Mass: 272.25278

Mono-Isotopic Molecular Masses:

  • C12N14: 272.068473484
  • C13N14: 287.118796054
  • C12N15: 272.068473484
  • C13N15: 287.118796054

InChI String: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1


PubChem Substance (SID):   n/a
PubChem Compound (CID):   439246
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   NAR
Miscellaneous Databases and IDs:   MMCD cq_00363

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,