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CHEBI:212331 - Thioplatencin

ChEBI IDCHEBI:212331
ChEBI NameThioplatencin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO5S
Net Charge0
Average Mass441.549
Monoisotopic Mass441.16099
SMILESC=C1CC23C=CC(=O)C(C)(CCC(=O)Nc4c(O)ccc(C(=O)S)c4O)C2CC1CC3
InChIInChI=1S/C24H27NO5S/c1-13-12-24-9-5-14(13)11-17(24)23(2,18(27)6-10-24)8-7-19(28)25-20-16(26)4-3-15(21(20)29)22(30)31/h3-4,6,10,14,17,26,29H,1,5,7-9,11-12H2,2H3,(H,25,28)(H,30,31)
InChIKeyNUFGXSJHUPZANV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1038/s41467-018-04747-y)
ChEBI Ontology
Outgoing Relation(s)
Thioplatencin (CHEBI:212331) is a benzenes (CHEBI:22712)
Thioplatencin (CHEBI:212331) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2,4-dihydroxy-3-[3-(5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl)propanoylamino]benzenecarbothioic S-acid