BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Chrysophanol

Graphical representations:

Chrysophanol image

View large 3D structure

Molecular Formula: C15H10O4

Natural Isotopic Abundance Mass: 254.2375

Mono-Isotopic Molecular Masses:

  • C12N14: 254.0579088
  • C13N14: 269.10823137
  • C12N15: 254.0579088
  • C13N15: 269.10823137

InChI String: InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   10208
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

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