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Chemistry, part 1

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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 > stereumamide b
organooxygen compound > stereumamide b

Preferred term

stereumamide b  

Type

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

Broader concept

charge

  • +1

formula

  • C21H28NO4

has_functional_parent

inchi

  • InChI=1S/C21H27NO4/c1-6-12(2)17(19(24)25)22-8-7-15-14(11-22)18(23)13-9-20(3,4)10-16(13)21(15,5)26/h7-9,11-12,16-17,26H,6,10H2,1-5H3/p+1/t12-,16?,17-,21?/m0/s1

inchikey

  • BJUREWYOAYRXIA-WBLCWRSKSA-O

mass

  • 358.457

monoisotopicmass

  • 358.20128

smiles

  • O=C1C2=C(C=C[N+](=C2)[C@H](C(=O)O)[C@H](CC)C)C(O)(C)C3C1=CC(C)(C)C3

subset

  • 2_STAR

synonym EXACT

  • (2S,3S)-2-(5-hydroxy-5,7,7-trimethyl-9-oxo-5a,6-dihydrocyclopenta[g]isoquinolin-2-ium-2-yl)-3-methylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217924

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