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CHEBI:224208 - Thiocladospolide D

Default Structure
ChEBI IDCHEBI:224208
ChEBI NameThiocladospolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O7S
Net Charge0
Average Mass364.460
Monoisotopic Mass364.15557
SMILESCOC(=O)[C@H](O)CS[C@H]1C[C@@H](O)[C@@H](O)CCCCC[C@@H](C)OC1=O
InChIInChI=1S/C16H28O7S/c1-10-6-4-3-5-7-11(17)12(18)8-14(16(21)23-10)24-9-13(19)15(20)22-2/h10-14,17-19H,3-9H2,1-2H3/t10-,11+,12-,13-,14+/m1/s1
InChIKeyZFDATSVNJAENKD-ITGHMWBKSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - PubMed (31038952)
ChEBI Ontology
Outgoing Relation(s)
Thiocladospolide D (CHEBI:224208) is a macrolide (CHEBI:25106)
IUPAC Name 
methyl (2S)-3-[[(3S,5R,6S,12R)-5,6-dihydroxy-12-methyl-2-oxo-oxacyclododec-3-yl]sulanyl]-2-hydroxypropanoate
Manual XrefsDatabases
76712513ChemSpider