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Chemistry, part 2

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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 > isoprenoid > terpenoid > sesquiterpenoid > 4-(2,6,6-trimethylcyclohexa-1,3-dienyl)but-3-en-2-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > 4-(2,6,6-trimethylcyclohexa-1,3-dienyl)but-3-en-2-one

Preferred term

4-(2,6,6-trimethylcyclohexa-1,3-dienyl)but-3-en-2-one  

Type

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

Broader concept

charge

  • 0

formula

  • C13H18O

inchi

  • InChI=1S/C13H18O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-8H,9H2,1-4H3/b8-7+

inchikey

  • UWWCASOGCPOGJP-BQYQJAHWSA-N

mass

  • 190.286

monoisotopicmass

  • 190.13577

smiles

  • O=C(/C=C/C=1C(CC=CC1C)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (E)-4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-en-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168826

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