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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 > epicoccin o
organooxygen compound > epicoccin o

Preferred term

epicoccin o  

Type

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

Broader concept

charge

  • 0

formula

  • C19H22N2O6S2

has_functional_parent

inchi

  • InChI=1S/C19H22N2O6S2/c1-28-18-5-7-9(22)2-3-10(23)13(7)20(18)17(27)19-6-8-14(21(19)16(18)26)11(24)4-12(29-19)15(8)25/h7-8,10-14,23-24H,2-6H2,1H3/t7-,8+,10-,11-,12-,13-,14-,18+,19+/m0/s1

inchikey

  • MIGDXSIYPPSPQT-VSVMUBLBSA-N

mass

  • 438.510

monoisotopicmass

  • 438.09193

smiles

  • S1[C@@]23N(C(=O)[C@]4(SC)C[C@@H]5[C@H](N4C2=O)[C@@H](O)CCC5=O)[C@H]6[C@@H](C3)C([C@@H]1C[C@@H]6O)=O

subset

  • 2_STAR

synonym EXACT

  • (1R,4S,5S,9R,11R,14S,15S,17S,19R)-5,15-dihydroxy-11-methylsulanyl-21-thia-3,13-diazahexacyclo[15.3.1.01,13.03,11.04,9.014,19]henicosane-2,8,12,18-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203829

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