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CHEBI:221917 - Thioangucycline D

ChEBI IDCHEBI:221917
ChEBI NameThioangucycline D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H32O9S
Net Charge0
Average Mass688.754
Monoisotopic Mass688.17670
SMILESCOc1cccc2c1C(=O)c1c(Sc3cc4c(c5c3[C@H](O)c3c(OC)cccc3[C@@H]5O)C(=O)C[C@](C)(O)C4)cc3cc(C)cc(O)c3c1C2=O
InChIInChI=1S/C40H32O9S/c1-17-11-18-13-26(32-34(28(18)22(41)12-17)36(43)20-7-5-9-24(48-3)30(20)38(32)45)50-27-14-19-15-40(2,47)16-23(42)29(19)35-33(27)39(46)31-21(37(35)44)8-6-10-25(31)49-4/h5-14,37,39,41,44,46-47H,15-16H2,1-4H3/t37-,39+,40+/m0/s1
InChIKeyYPXUBUQXYKPHFJ-DIPARAHXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB00072 (ncbitaxon:1703928) - PubMed (33465268)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Thioangucycline D (CHEBI:221917) is a angucycline (CHEBI:48130)