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CHEBI:211573 - Thioquinomycin A

ChEBI IDCHEBI:211573
ChEBI NameThioquinomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23NO6S
Net Charge0
Average Mass429.494
Monoisotopic Mass429.12461
SMILESCN[C@@H]1C[C@H](c2ccc3c(c2O)C(=O)c2c(C)sc(C(C)=O)c2C3=O)O[C@H](C)[C@H]1O
InChIInChI=1S/C22H23NO6S/c1-8(24)22-17-15(10(3)30-22)21(28)16-12(20(17)27)6-5-11(19(16)26)14-7-13(23-4)18(25)9(2)29-14/h5-6,9,13-14,18,23,25-26H,7H2,1-4H3/t9-,13-,14-,18-/m1/s1
InChIKeyYASCEIHFCDMBPN-CCMDXAHDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2018.09.007)
ChEBI Ontology
Outgoing Relation(s)
Thioquinomycin A (CHEBI:211573) is a naphthalenes (CHEBI:25477)
IUPAC Name 
1-acetyl-5-hydroxy-6-[(2R,4R,5S,6R)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-3-methylbenzo[][2]benzothiole-4,9-dione
Manual XrefsDatabases
71048635ChemSpider