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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 > spirogliotoxin
organooxygen compound > spirogliotoxin

Preferred term

spirogliotoxin  

Type

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

Broader concept

charge

  • 0

formula

  • C13H16N2O4S2

has_functional_parent

inchi

  • InChI=1S/C13H16N2O4S2/c1-20-13(6-16)11(19)14-12(10(18)15-13)5-7-3-2-4-8(17)9(7)21-12/h2-4,8-9,16-17H,5-6H2,1H3,(H,14,19)(H,15,18)/t8-,9-,12+,13+/m0/s1

inchikey

  • XSLRYBHITZPVBL-RBJBARPLSA-N

mass

  • 328.400

monoisotopicmass

  • 328.05515

smiles

  • S1[C@]2(NC(=O)[C@](SC)(CO)NC2=O)CC=3[C@H]1[C@@H](O)C=CC3

subset

  • 2_STAR

synonym EXACT

  • (2R,3'R,7S,7aS)-7-hydroxy-3'-(hydroxymethyl)-3'-methylsulanylspiro[7,7a-dihydro-3H-1-benzothiophene-2,6'-piperazine]-2',5'-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218076

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