CHEBI:224218 - Thiocladospolide C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Thiocladospolide C
ChEBI ID CHEBI:224218
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O6S
Net Charge 0
Average Mass 330.400
Monoisotopic Mass 330.11371
InChI InChI=1S/C15H22O6S/c1-10-6-4-3-5-7-11(16)12(17)8-13(15(19)21-10)22-9-14(18)20-2/h10,13H,3-9H2,1-2H3/t10-,13+/m1/s1
InChIKey IAINGATVBJNKPB-MFKMUULPSA-N
SMILES S([C@@H]1C(=O)O[C@@H](CCCCCC(C(C1)=O)=O)C)CC(=O)OC
Metabolite of Species Details
Cladosporium (NCBI:txid5498) See: PubMed
ChEBI Ontology
Outgoing Thiocladospolide C (CHEBI:224218) is a macrolide (CHEBI:25106)
IUPAC Name
methyl 2-[[(3S,12R)-12-methyl-2,5,6-trioxo-oxacyclododec-3-yl]sulanyl]acetate
Manual Xref Database
76712512 ChemSpider
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