CHEBI:212325 - Thioplatensimycin

ChEBI IDCHEBI:212325
ChEBI NameThioplatensimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO6S
Net Charge0
Average Mass457.548
Monoisotopic Mass457.15591
SMILESCC12CC34C=CC(=O)C(C)(CCC(=O)Nc5c(O)ccc(C(=O)S)c5O)C3C(CC1C4)O2
InChIInChI=1S/C24H27NO6S/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)32)16(27)5-8-24-10-12-9-15(20(22)24)31-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,32)
InChIKeyZQYLQHFOXSDSHJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1038/s41467-018-04747-y)
ChEBI Ontology
Outgoing Relation(s)
Thioplatensimycin (CHEBI:212325) is a benzenes (CHEBI:22712)
Thioplatensimycin (CHEBI:212325) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3-[3-(5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl)propanoylamino]-2,4-dihydroxybenzenecarbothioic S-acid