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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 > 7-dehydroxyepicoccin h
organooxygen compound > 7-dehydroxyepicoccin h

Preferred term

7-dehydroxyepicoccin h  

Type

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

Broader concept

charge

  • 0

formula

  • C20H26N2O7S2

has_functional_parent

inchi

  • InChI=1S/C20H26N2O7S2/c1-30-19-6-8-10(23)3-4-11(24)14(8)21(19)17(28)20(31-2)7-9-12(25)5-13(26)16(27)15(9)22(20)18(19)29/h8-9,11,13-16,24,26-27H,3-7H2,1-2H3/t8-,9-,11-,13-,14-,15-,16-,19+,20+/m0/s1

inchikey

  • VQTRHSQPOUWBGB-CNWKXFJGSA-N

mass

  • 470.560

monoisotopicmass

  • 470.11814

smiles

  • S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)CCC4=O)[C@@H]5[C@@H](O)[C@@H](O)CC([C@@H]5C2)=O)C

subset

  • 2_STAR

synonym EXACT

  • (1R,4S,5R,6S,9R,11R,14S,15S,19R)-5,6,15-trihydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosane-2,8,12,18-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214392

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