Emodin

Emodin bmse001297 - Data

Emodin synonyms

Wikipedia:

Graphical representations:

Emodin

View large 3D structure

Molecular Formula: C15H10O5

Natural Isotopic Abundance Mass: 270.2369

Mono-Isotopic Molecular Masses:

  • C12N14: 270.05282342
  • C13N14: 285.10314599
  • C12N15: 270.05282342
  • C13N15: 285.10314599

InChI string: InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3

IUPAC: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione

BMRB Ligand Expo: EMO
PubChem Compound (CID): 3220

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)