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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 > bacillcoumacin b
organooxygen compound > bacillcoumacin b

Preferred term

bacillcoumacin b  

Type

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

Broader concept

charge

  • 0

formula

  • C20H28N2O7

has_functional_parent

inchi

  • InChI=1S/C20H28N2O7/c1-10(2)7-13(22-19(27)18(26)15(25)9-21-11(3)23)16-8-12-5-4-6-14(24)17(12)20(28)29-16/h4-6,10,13,15-16,18,24-26H,7-9H2,1-3H3,(H,21,23)(H,22,27)/t13-,15-,16-,18-/m0/s1

inchikey

  • JKCOKUNVPWIXQY-MBGYTDRXSA-N

mass

  • 408.451

monoisotopicmass

  • 408.18965

smiles

  • O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@@H](O)CNC(=O)C)CC(C)C)CC=2C1=C(O)C=CC2

subset

  • 2_STAR

synonym EXACT

  • (2S,3S)-4-acetamido-2,3-dihydroxy-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]butanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201112

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