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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 > xenocoumacin 1
organooxygen compound > xenocoumacin 1

Preferred term

xenocoumacin 1  

Type

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

Broader concept

charge

  • 0

formula

  • C22H35N5O6

has_functional_parent

inchi

  • InChI=1S/C22H35N5O6/c1-11(2)9-14(16-10-12-5-3-7-15(28)17(12)21(32)33-16)27-20(31)19(30)18(29)13(23)6-4-8-26-22(24)25/h3,5,7,11,13-14,16,18-19,28-30H,4,6,8-10,23H2,1-2H3,(H,27,31)(H4,24,25,26)

inchikey

  • KJPBPENONKNTAB-UHFFFAOYSA-N

mass

  • 465.551

monoisotopicmass

  • 465.25873

smiles

  • O=C1OC(C(NC(=O)C(O)C(O)C(N)CCCN=C(N)N)CC(C)C)CC=2C1=C(O)C=CC2

subset

  • 2_STAR

synonym EXACT

  • 4-amino-7-(diaminomethylideneamino)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]heptanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221812

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