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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 > hydroxyquinone > hydroxynaphthoquinone > rifampicin para-naphthoquinone carboxamide(2-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyquinone > hydroxynaphthoquinone > rifampicin para-naphthoquinone carboxamide(2-)
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > quinone > hydroxyquinone > hydroxynaphthoquinone > rifampicin para-naphthoquinone carboxamide(2-)
... > 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 > rifampicin para-naphthoquinone carboxamide(2-)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > hydroxyquinone > hydroxynaphthoquinone > rifampicin para-naphthoquinone carboxamide(2-)

Preferred term

rifampicin para-naphthoquinone carboxamide(2-)  

Type

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

Broader concept

charge

  • -2

formula

  • C43H56N4O13

has_functional_parent

inchi

  • InChI=1S/C43H58N4O13/c1-21(12-11-13-22(2)42(44)56)33(49)24(4)34(50)25(5)39(59-27(7)48)23(3)29(57-10)14-19-58-43(8)41(55)32-30-31(35(51)26(6)40(32)60-43)38(54)37(53)28(36(30)52)20-45-47-17-15-46(9)16-18-47/h11-14,19-21,23-25,29,33-34,39,49-51,53H,15-18H2,1-10H3,(H2,44,56)/p-2/b12-11+,19-14+,22-13-,45-20+/t21-,23+,24+,25+,29-,33-,34+,39+,43-/m0/s1

inchikey

  • ABIUUBSHMGGSQA-OKVYCZLSSA-L

mass

  • 836.925

monoisotopicmass

  • 836.38549

smiles

  • [C@H](C)([C@@H]([C@@H]([C@H](/C=C/O[C@]1(OC=2C(C1=O)=C3C(C(C(=C(C3=O)/C=N/N4CCN(CC4)C)[O-])=O)=C(C2C)[O-])C)OC)C)OC(=O)C)[C@H](O)[C@@H]([C@@H](O)[C@@H](C)/C=C/C=C(/C)/C(N)=O)C

subset

  • 2_STAR

synonym RELATED

  • rifampicin para-naphthoquinone carboxamide
  • rifampin para-naphthoquinone carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:142731

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