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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 > graphiumin d
organooxygen compound > graphiumin d

Preferred term

graphiumin d  

Type

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

Broader concept

charge

  • 0

formula

  • C28H36N2O8S2

has_functional_parent

inchi

  • InChI=1S/C28H36N2O8S2/c1-4-5-6-7-19(31)12-22(33)38-21-9-11-37-16-18-14-28(40-3)25(34)29-23-17(15-36-10-8-20(23)32)13-27(29,39-2)26(35)30(28)24(18)21/h8-11,15-16,19-21,23-24,31-32H,4-7,12-14H2,1-3H3/t19-,20-,21-,23-,24-,27+,28+/m0/s1

inchikey

  • SURGUIDISCNHFJ-WJMDBDSNSA-N

mass

  • 592.720

monoisotopicmass

  • 592.19131

smiles

  • S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=COC4)[C@@H]5[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C5C2)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,4S,5S,12R,15S,16S)-16-hydroxy-1,12-bis(methylsulanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.03,12.04,10.015,21]docosa-6,9,17,20-tetraen-5-yl] (3S)-3-hydroxyoctanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215123

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