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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(-)-alpha-Santonin

(-)-alpha-Santonin synonyms

Wikipedia:

Graphical representations:

(-)-alpha-Santonin image

View large 3D structure

Molecular Formula: C15H18O3

Natural Isotopic Abundance Mass: 246.30162

Mono-Isotopic Molecular Masses:

  • C12N14: 246.125594436
  • C13N14: 261.175917006
  • C12N15: 246.125594436
  • C13N15: 261.175917006

InChI String: InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   10201
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