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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 g
organooxygen compound > graphiumin g

Preferred term

graphiumin g  

Type

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

Broader concept

charge

  • 0

formula

  • C28H36N2O7S2

has_functional_parent

inchi

  • InChI=1S/C28H36N2O7S2/c1-4-5-6-9-19(31)13-22(33)37-21-10-7-8-17-14-27(38-2)25(34)29-23-18(16-36-12-11-20(23)32)15-28(29,39-3)26(35)30(27)24(17)21/h7-8,10-12,16,19-21,23-24,31-32H,4-6,9,13-15H2,1-3H3/t19-,20-,21-,23-,24-,27+,28+/m0/s1

inchikey

  • TYHCHYOMCFNGNC-WJMDBDSNSA-N

mass

  • 576.720

monoisotopicmass

  • 576.19639

smiles

  • S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C[C@@H](O)CCCCC)C=CC4)[C@@H]5[C@@H](O)C=COC=C5C2)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,4S,5S,11R,14S,15S)-15-hydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-5-yl] (3S)-3-hydroxyoctanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202927

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