Coumestrol

Coumestrol bmse001216 - Data

Coumestrol synonyms

Wikipedia:

Graphical representations:

Coumestrol

View large 3D structure

Molecular Formula: C15H8O5

Natural Isotopic Abundance Mass: 268.22102

Mono-Isotopic Molecular Masses:

  • C12N14: 268.037173356
  • C13N14: 283.087495926
  • C12N15: 268.037173356
  • C13N15: 283.087495926

InChI string: InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H

IUPAC: 3,9-dihydroxy-[1]benzoxolo[3,2-c]chromen-6-one

BMRB Ligand Expo: CUE
PubChem Compound (CID): 5281707
NSC:

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)