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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 > alkaloid > indole alkaloid > indolocarbazole alkaloid > 3'-demethylstaurosporine

Preferred term

3'-demethylstaurosporine  

Type

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

Broader concept

alt_id

  • CHEBI:11677
  • CHEBI:1337

charge

  • 0

formula

  • C27H24N4O3

has_functional_parent

inchi

  • InChI=1S/C27H24N4O3/c1-27-25(32)16(28-2)11-19(34-27)30-17-9-5-3-7-13(17)21-22-15(12-29-26(22)33)20-14-8-4-6-10-18(14)31(27)24(20)23(21)30/h3-10,16,19,25,28,32H,11-12H2,1-2H3,(H,29,33)/t16-,19-,25-,27+/m1/s1

inchikey

  • YFYYWLWHOINTHH-FCHZLITKSA-N

is_conjugate_base_of

mass

  • 452.50462

monoisotopicmass

  • 452.18484

smiles

  • CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

subset

  • 3_STAR

synonym EXACT

  • 3'-Demethylstaurosporine
  • (5S,6R,7R,9R)-6-hydroxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:15692

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