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-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one synonyms

Quercetin

Wikipedia:

Graphical representations:

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one image

View large 3D structure

Molecular Formula: C15H10O7

Natural Isotopic Abundance Mass: 302.2357

Mono-Isotopic Molecular Masses:

  • C12N14: 302.04265266
  • C13N14: 317.09297523
  • C12N15: 302.04265266
  • C13N15: 317.09297523

InChI String: InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   14709285
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   QUE
Miscellaneous Databases and IDs:   MMCD cq_18823

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