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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 > dehydroxymethylbis(dethio)bis(methylthio)gliotoxin
organooxygen compound > dehydroxymethylbis(dethio)bis(methylthio)gliotoxin

Preferred term

dehydroxymethylbis(dethio)bis(methylthio)gliotoxin  

Type

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

Broader concept

charge

  • 0

formula

  • C14H18N2O3S2

has_functional_parent

inchi

  • InChI=1S/C14H18N2O3S2/c1-15-12(20-2)11(18)16-10-8(5-4-6-9(10)17)7-14(16,21-3)13(15)19/h4-6,9-10,12,17H,7H2,1-3H3/t9-,10-,12+,14+/m0/s1

inchikey

  • AHKQNTDHDXRTKQ-BQSGVUBFSA-N

mass

  • 326.430

monoisotopicmass

  • 326.07588

smiles

  • S([C@@]12N(C(=O)[C@@H](SC)N(C1=O)C)[C@@H]3[C@@H](O)C=CC=C3C2)C

subset

  • 2_STAR

synonym EXACT

  • (3R,5aS,6S,10aR)-6-hydroxy-2-methyl-3,10a-bis(methylsulanyl)-3,5a,6,10-tetrahydropyrazino[1,2-a]indole-1,4-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215233

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