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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > amino acid amide > cycloexpansamine a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > amino acid amide > cycloexpansamine a
organooxygen compound > carboxamide > amino acid amide > cycloexpansamine a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > amino acid amide > cycloexpansamine a

Preferred term

cycloexpansamine a  

Type

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

Broader concept

charge

  • 0

formula

  • C26H31N3O4

inchi

  • InChI=1S/C26H31N3O4/c1-22(2)10-16(31)18-15(30)7-6-14-19(18)29(22)21(33)26(14)12-24-13-28-9-5-8-25(28,20(32)27-24)11-17(24)23(26,3)4/h6-7,17,30H,5,8-13H2,1-4H3,(H,27,32)/t17-,24-,25+,26+/m1/s1

inchikey

  • DVEFLSQGFWNEPE-PRFMUHPXSA-N

mass

  • 449.551

monoisotopicmass

  • 449.23146

smiles

  • O=C1N[C@]23[C@@H](C(C)(C)[C@]4(C2)C(=O)N5C(CC(C=6C5=C4C=CC6O)=O)(C)C)C[C@]17N(CCC7)C3

subset

  • 2_STAR

synonym EXACT

  • (1'S,3S,7'S,9'R)-7-hydroxy-10',10',11,11-tetramethylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,9,14'-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227412

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