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CHEBI:215591 - Thiocladospolide J

ChEBI IDCHEBI:215591
ChEBI NameThiocladospolide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O10S
Net Charge0
Average Mass558.690
Monoisotopic Mass558.24987
SMILESC[C@H](CCCCC[C@H](O)[C@@H]1C=CC(=O)O1)OC(=O)[C@H](O)CS[C@H]1CC(=O)[C@@H](O)CCCCC[C@@H](C)OC1=O
InChIInChI=1S/C27H42O10S/c1-17(9-6-4-8-12-20(29)23-13-14-25(32)37-23)35-26(33)22(31)16-38-24-15-21(30)19(28)11-7-3-5-10-18(2)36-27(24)34/h13-14,17-20,22-24,28-29,31H,3-12,15-16H2,1-2H3/t17-,18-,19+,20+,22-,23+,24+/m1/s1
InChIKeyKPILJRSNGLXCKI-VJDUZYELSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - PubMed (32888671)
ChEBI Ontology
Outgoing Relation(s)
Thiocladospolide J (CHEBI:215591) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,8S)-8-hydroxy-8-[(2S)-5-oxo-2H-uran-2-yl]octan-2-yl] (2S)-2-hydroxy-3-[[(3S,6S,12R)-6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-3-yl]sulanyl]propanoate
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101936541ChemSpider