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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 > organic hydroxy compound > phenols > benzenediols > catechols > tolcapone
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > catechols > tolcapone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > tolcapone
... > 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 > phenols > benzenediols > catechols > tolcapone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > tolcapone
... > organooxygen compound > carbonyl compound > ketone > aromatic ketone > benzophenones > tolcapone
... > 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 > aromatic ketone > benzophenones > tolcapone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > benzophenones > tolcapone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > nitrophenol > mononitrophenol > 2-nitrophenols > tolcapone
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > nitrophenol > mononitrophenol > 2-nitrophenols > tolcapone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > nitrophenol > mononitrophenol > 2-nitrophenols > tolcapone
... > 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 > phenols > nitrophenol > mononitrophenol > 2-nitrophenols > tolcapone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > nitrophenol > mononitrophenol > 2-nitrophenols > tolcapone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > nitro compound > c-nitro compound > nitrophenol > mononitrophenol > 2-nitrophenols > tolcapone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > c-nitro compound > nitrophenol > mononitrophenol > 2-nitrophenols > tolcapone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > nitrophenol > mononitrophenol > 2-nitrophenols > tolcapone

Preferred term

tolcapone  

Type

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

Broader concept

alt_id

  • CHEBI:9617

charge

  • 0

formula

  • C14H11NO5

has_role

  • CHEBI:48406
  • CHEBI:48407

inchi

  • InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3

inchikey

  • MIQPIUSUKVNLNT-UHFFFAOYSA-N

mass

  • 273.24080

monoisotopicmass

  • 273.06372

smiles

  • Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O

subset

  • 3_STAR

synonym EXACT

  • (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone

synonym RELATED

  • 3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone
  • 3,4-dihydroxy-4'-methyl-5-nitrobenzophenone
  • 3,4-dihydroxy-5-nitro-4'-methylbenzophenone
  • 4'-methyl-3,4-dihydroxy-5-nitrobenzophenone
  • tolcapone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:63630

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