2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol

2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol bmse001147 - Data

2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol synonyms

(+)-Catechin hydrate

Wikipedia:

Graphical representations:

2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol

View large 3D structure

Molecular Formula: C15H14O6

Natural Isotopic Abundance Mass: 290.26806

Mono-Isotopic Molecular Masses:

  • C12N14: 290.079038168
  • C13N14: 305.129360738
  • C12N15: 290.079038168
  • C13N15: 305.129360738

InChI string: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1

MMCD: cq_03742
PDB Compound ID: KXN
PubChem Compound (CID): 9064

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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)