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CHEBI:211176 - Thiocladospolide E

ChEBI IDCHEBI:211176
ChEBI NameThiocladospolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26O5S
Net Charge0
Average Mass306.424
Monoisotopic Mass306.15009
SMILESC[C@H]1CCCCC[C@H](O)[C@@H](O)C[C@@H](SCCO)C(=O)O1
InChIInChI=1S/C14H26O5S/c1-10-5-3-2-4-6-11(16)12(17)9-13(14(18)19-10)20-8-7-15/h10-13,15-17H,2-9H2,1H3/t10-,11-,12-,13+/m0/s1
InChIKeySVWMDBAQMTYMLX-ZDEQEGDKSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - PubMed (31226284)
ChEBI Ontology
Outgoing Relation(s)
Thiocladospolide E (CHEBI:211176) is a macrolide (CHEBI:25106)
IUPAC Name 
(3R,5S,6S,12S)-5,6-dihydroxy-3-(2-hydroxyethylsulanyl)-12-methyl-oxacyclododecan-2-one
Manual XrefsDatabases
77001594ChemSpider