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CHEBI:211578 - Thioquinomycin B

ChEBI IDCHEBI:211578
ChEBI NameThioquinomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25NO6S
Net Charge0
Average Mass443.521
Monoisotopic Mass443.14026
SMILESCC(=O)c1sc(C)c2c1C(=O)c1ccc([C@H]3C[C@@H](N(C)C)[C@H](O)[C@@H](C)O3)c(O)c1C2=O
InChIInChI=1S/C23H25NO6S/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/h6-7,10,14-15,19,26-27H,8H2,1-5H3/t10-,14-,15-,19-/m1/s1
InChIKeyFLFWTWWDTNQYBG-FFONGLNXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2018.09.007)
ChEBI Ontology
Outgoing Relation(s)
Thioquinomycin B (CHEBI:211578) is a naphthalenes (CHEBI:25477)
IUPAC Name 
1-acetyl-6-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5-hydroxy-3-methylbenzo[][2]benzothiole-4,9-dione
Manual XrefsDatabases
71048636ChemSpider