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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > nectriatone b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > nectriatone b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > nectriatone b

Preferred term

nectriatone b  

Type

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

Broader concept

charge

  • 0

formula

  • C13H18O2

inchi

  • InChI=1S/C13H18O2/c1-9-5-6-12(15)11(3)13(9,4)8-7-10(2)14/h5-9,11H,1-4H3/b8-7+/t9-,11+,13+/m1/s1

inchikey

  • BRIFLTZNTKNQAE-CAZBBBLRSA-N

mass

  • 206.285

monoisotopicmass

  • 206.13068

smiles

  • O=C1C=C[C@@H](C)[C@@]([C@H]1C)(/C=C/C(=O)C)C

subset

  • 2_STAR

synonym EXACT

  • (4R,5S,6R)-4,5,6-trimethyl-5-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205678

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