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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > asperpentyn
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > asperpentyn

Preferred term

asperpentyn  

Type

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

Broader concept

charge

  • 0

formula

  • C11H12O3

inchi

  • InChI=1S/C11H12O3/c1-6(2)3-4-7-5-8(12)10-11(14-10)9(7)13/h5,8-13H,1H2,2H3/t8-,9+,10+,11-/m0/s1

inchikey

  • KPEYCTJGQFOOBS-ZDCRXTMVSA-N

mass

  • 192.214

monoisotopicmass

  • 192.07864

smiles

  • O1[C@H]2[C@H](O)C(C#CC(=C)C)=C[C@@H]([C@@H]12)O

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,5S,6R)-3-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219920

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