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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organochlorine compound > chlorobenzenes > monochlorobenzenes > atovaquone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > monochlorobenzenes > atovaquone
... > 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 aromatic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > monochlorobenzenes > atovaquone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > monochlorobenzenes > atovaquone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > monochlorobenzenes > atovaquone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > monochlorobenzenes > atovaquone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > chlorobenzenes > monochlorobenzenes > atovaquone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxyquinone > hydroxynaphthoquinone > hydroxy-1,4-naphthoquinone > atovaquone
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyquinone > hydroxynaphthoquinone > hydroxy-1,4-naphthoquinone > atovaquone
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > hydroxyquinone > hydroxynaphthoquinone > hydroxy-1,4-naphthoquinone > atovaquone
... > 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 > quinone > hydroxyquinone > hydroxynaphthoquinone > hydroxy-1,4-naphthoquinone > atovaquone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > hydroxyquinone > hydroxynaphthoquinone > hydroxy-1,4-naphthoquinone > atovaquone
1,4-naphthoquinones > hydroxy-1,4-naphthoquinone > atovaquone

Preferred term

atovaquone  

Type

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

Broader concept

alt_id

  • CHEBI:2912

charge

  • 0

formula

  • C22H19ClO3

has_role

inchi

  • InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-

inchikey

  • KUCQYCKVKVOKAY-CTYIDZIISA-N

mass

  • 366.83700

monoisotopicmass

  • 366.10227

smiles

  • OC1=C([C@H]2CC[C@@H](CC2)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O

subset

  • 3_STAR

synonym EXACT

  • 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone

synonym RELATED

  • 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone
  • Acuvel
  • atovaquone
  • Mepron
  • Wellvone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:575568

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