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CHEBI:198804 - FR90I537

ChEBI IDCHEBI:198804
ChEBI NameFR90I537
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29N3O6S2
Net Charge0
Average Mass507.634
Monoisotopic Mass507.14978
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSc1c2c(c3ccccc3c1O)NC(=O)CS2
InChIInChI=1S/C23H29N3O6S2/c1-23(2,12-27)21(31)22(32)25-8-7-15(28)24-9-10-33-20-18(30)14-6-4-3-5-13(14)17-19(20)34-11-16(29)26-17/h3-6,21,27,30-31H,7-12H2,1-2H3,(H,24,28)(H,25,32)(H,26,29)/t21-/m0/s1
InChIKeyHKEFKAJRMICMPZ-NRFANRHFSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (7592017)
ChEBI Ontology
Outgoing Relation(s)
FR90I537 (CHEBI:198804) is a naphthols (CHEBI:25392)
IUPAC Name 
(2R)-2,4-dihydroxy-N-[3-[2-[(6-hydroxy-2-oxo-1H-benzo[][1,4]benzothiazin-5-yl)sulanyl]ethylamino]-3-oxopropyl]-3,3-dimethylbutanamide
Manual XrefsDatabases
138865ChemSpider