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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 > alcohol > tertiary alcohol > bruceolline n
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > bruceolline n
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > bruceolline n
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > bruceolline n
organooxygen compound > carbonyl compound > ketone > cyclic ketone > bruceolline n
... > 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 > bruceolline n
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > bruceolline n
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > n-glycosyl compound > bruceolline n
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > n-glycosyl compound > bruceolline n
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > n-glycosyl compound > bruceolline n
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > indole alkaloid > bruceolline n

Preferred term

bruceolline n  

Type

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

Broader concept

charge

  • 0

formula

  • C19H27NO9

has_role

inchi

  • InChI=1S/C19H27NO9/c1-18(2,27)12(22)7-19(28)9-5-3-4-6-10(9)20(17(19)26)16-15(25)14(24)13(23)11(8-21)29-16/h3-6,11-16,21-25,27-28H,7-8H2,1-2H3/t11-,12+,13-,14+,15-,16-,19-/m1/s1

inchikey

  • QKHYSKWZRQYVRE-JYHHGOMKSA-N

mass

  • 413.41900

monoisotopicmass

  • 413.16858

smiles

  • CC(C)(O)[C@@H](O)C[C@]1(O)C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12

subset

  • 3_STAR

synonym EXACT

  • (3R)-3-[(2S)-2,3-dihydroxy-3-methylbutyl]-1-(beta-D-glucopyranosyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68925

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