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CHEBI:211590 - Thioquinomycin D

ChEBI IDCHEBI:211590
ChEBI NameThioquinomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27NO6S
Net Charge0
Average Mass445.537
Monoisotopic Mass445.15591
SMILESCc1sc([C@@H](C)O)c2c1C(=O)c1c(ccc([C@H]3C[C@@H](N(C)C)[C@H](O)[C@@H](C)O3)c1O)C2=O
InChIInChI=1S/C23H27NO6S/c1-9(25)23-18-16(11(3)31-23)22(29)17-13(21(18)28)7-6-12(20(17)27)15-8-14(24(4)5)19(26)10(2)30-15/h6-7,9-10,14-15,19,25-27H,8H2,1-5H3/t9-,10-,14-,15-,19-/m1/s1
InChIKeyMTQUZTKDGSBXGC-UMYJKRABSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2018.09.007)
ChEBI Ontology
Outgoing Relation(s)
Thioquinomycin D (CHEBI:211590) is a naphthalenes (CHEBI:25477)
IUPAC Name 
6-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5-hydroxy-1-[(1R)-1-hydroxyethyl]-3-methylbenzo[][2]benzothiole-4,9-dione
Manual XrefsDatabases
71048638ChemSpider