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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > crambescidin 401
... > 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 heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > crambescidin 401
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > crambescidin 401
organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > crambescidin 401
... > 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 > carboxylic acid > monocarboxylic acid > crambescidin 401
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > crambescidin 401
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > crambescidin 401
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > guanidines > crambescidin 401
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > crambescidin 401
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > spiro compound > crambescidin 401

Preferred term

crambescidin 401  

Type

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

Broader concept

charge

  • 0

formula

  • C22H31N3O4

has_role

inchi

  • InChI=1S/C22H31N3O4/c1-3-16-8-4-5-11-21(29-16)13-15-9-10-17-18(19(26)27)22(12-6-7-14(2)28-22)24-20(23-21)25(15)17/h4,8,14-16H,3,5-7,9-13H2,1-2H3,(H,23,24)(H,26,27)/t14-,15+,16+,21+,22-/m1/s1

inchikey

  • CRQLUZOAOKXVKN-DRZYCYNKSA-N

mass

  • 401.507

monoisotopicmass

  • 401.23146

smiles

  • C1[C@@]2(O[C@@H](CC1)C)C(=C3CC[C@]4(C[C@]5(N=C(N2)N43)CCC=C[C@@H](O5)CC)[H])C(=O)O

subset

  • 3_STAR

synonym EXACT

  • (2S,2''R,6''R,7S,8a'S)-7-ethyl-6''-methyl-1',2',3'',4,4'',5'',6'',7,8',8a'-decahydro-3H,5'H-dispiro[oxepine-2,7'-[5,6,8b]triazaacenaphthylene-4',2''-pyran]-3'-carboxylic acid

synonym RELATED

  • (2R,2''S,6R,7''S,8'aS)-7''-ethyl-6-methyl-1',2',4'',7'',8',8'a-hexahydro-3''H,5'H-dispiro[oxane-2,4'-[5,6,8b]triazaacenaphthylene-7',2''-oxepine]-3'-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149572

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