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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > sch 210971
organooxygen compound > carbon oxoacid > carboxylic acid > monocarboxylic acid > sch 210971
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > sch 210971
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > sch 210971
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > enol > sch 210971
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > enol > sch 210971
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > enol > sch 210971
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enol > sch 210971
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinone > pyrrolidin-2-ones > sch 210971
... > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinone > pyrrolidin-2-ones > sch 210971
... > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > pyrrolidinone > pyrrolidin-2-ones > sch 210971
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > gamma-lactam > pyrrolidin-2-ones > sch 210971
... > organooxygen compound > carboxamide > lactam > gamma-lactam > pyrrolidin-2-ones > sch 210971
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > gamma-lactam > pyrrolidin-2-ones > sch 210971
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > gamma-lactam > pyrrolidin-2-ones > sch 210971
... > organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > gamma-lactam > pyrrolidin-2-ones > sch 210971

Preferred term

sch 210971  

Type

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

Broader concept

charge

  • 0

formula

  • C25H35NO6

has_role

inchi

  • InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+,22-20-/t12-,14+,15-,16+,17-,18-,19-,25+/m1/s1

inchikey

  • AVZATKWNGXCSDN-UPZXKQCMSA-N

is_conjugate_acid_of

mass

  • 445.556

monoisotopicmass

  • 445.24644

smiles

  • [H][C@]1(C)C[C@@H](C)C[C@@]2([H])C=C[C@]([H])([C@@H](/C(O)=C3/C(=O)N[C@H](C[C@](C)(O)C(O)=O)C3=O)[C@]12[H])C(/C)=C/C

subset

  • 3_STAR

synonym EXACT

  • rel-(2S)-3-{(2R,4Z)-4-[{(1S,2R,4aS,6R,8S,8aR)-2-[(2E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}(hydroxy)methylene]-3,5-dioxopyrrolidin-2-yl}-2-hydroxy-2-methylpropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68748

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