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Concept information

Preferred term

alpha-santonin  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

alt_id

  • CHEBI:10331
  • CHEBI:12342
  • CHEBI:22468
  • CHEBI:26603

charge

  • 0

formula

  • C15H18O3

inchi

  • 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

inchikey

  • XJHDMGJURBVLLE-BOCCBSBMSA-N

mass

  • 246.30162

monoisotopicmass

  • 246.12559

smiles

  • [H][C@@]12CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@]1([H])OC(=O)[C@H]2C

subset

  • 3_STAR

synonym EXACT

  • (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
  • alpha-santonin
  • alpha-Santonin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:16363

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