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Concept information

Preferred term

(-)-alpha-thujone  

Type

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

Broader concept

charge

  • 0

formula

  • C10H16O

inchi

  • InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1

inchikey

  • USMNOWBWPHYOEA-MRTMQBJTSA-N

is_enantiomer_of

mass

  • 152.23344

monoisotopicmass

  • 152.12012

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
  • (1S,4R,5R)-thujan-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9577

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