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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3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one

3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one synonyms

Phloretin

Wikipedia:

Graphical representations:

3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one image

View large 3D structure

Molecular Formula: C15H14O5

Natural Isotopic Abundance Mass: 274.26866

Mono-Isotopic Molecular Masses:

  • C12N14: 274.084123548
  • C13N14: 289.134446118
  • C12N15: 274.084123548
  • C13N15: 289.134446118

InChI String: InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   4788
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   G50
Miscellaneous Databases and IDs:   MMCD cq_00523

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