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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 > 6-acetylmonodethiogliotoxin
organooxygen compound > 6-acetylmonodethiogliotoxin

Preferred term

6-acetylmonodethiogliotoxin  

Type

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

Broader concept

charge

  • 0

formula

  • C15H16N2O5S

has_functional_parent

inchi

  • InChI=1S/C15H16N2O5S/c1-8(19)22-10-5-3-4-9-6-14-12(20)16(2)15(7-18,23-14)13(21)17(14)11(9)10/h3-5,10-11,18H,6-7H2,1-2H3/t10-,11-,14-,15-/m0/s1

inchikey

  • QTPKPCAJWYFVSQ-GVARAGBVSA-N

mass

  • 336.360

monoisotopicmass

  • 336.07799

smiles

  • S1[C@@]23N([C@@H]4[C@@H](OC(=O)C)C=CC=C4C2)C([C@]1(N(C)C3=O)CO)=O

subset

  • 2_STAR

synonym EXACT

  • [(1S,7S,8S,11S)-11-(hydroxymethyl)-12-methyl-10,13-dioxo-14-thia-9,12-diazatetracyclo[9.2.1.01,9.03,8]tetradeca-3,5-dien-7-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197877

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