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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > pyrans > pyranone > nocapyrone s
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > pyrans > pyranone > nocapyrone s
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pyrans > pyranone > nocapyrone s
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pyrans > pyranone > nocapyrone s
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrans > pyranone > nocapyrone s
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrans > pyranone > nocapyrone s
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrans > pyranone > nocapyrone s

Preferred term

nocapyrone s  

Type

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

Broader concept

charge

  • 0

formula

  • C13H20O4

inchi

  • InChI=1S/C13H20O4/c1-8(2)7-10-5-6-11(17-12(10)15)13(4,16)9(3)14/h5-6,8-9,14,16H,7H2,1-4H3/t9-,13-/m0/s1

inchikey

  • PUHCIPQAMDGUGT-ZANVPECISA-N

mass

  • 240.299

monoisotopicmass

  • 240.13616

smiles

  • O=C1OC(=CC=C1CC(C)C)[C@@](O)([C@@H](O)C)C

subset

  • 2_STAR

synonym EXACT

  • 6-(2,3-dihydroxypentan-2-yl)-3-ethylpyran-2-one
  • 6-[(2S,3S)-2,3-dihydroxybutan-2-yl]-3-(2-methylpropyl)pyran-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218549

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