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CHEBI:215584 - Thiocladospolide I

Default Structure
ChEBI IDCHEBI:215584
ChEBI NameThiocladospolide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O10S
Net Charge0
Average Mass560.706
Monoisotopic Mass560.26552
SMILESC[C@H](CCCCCC[C@H](O)C=CC(=O)O)OC(=O)[C@H](O)CS[C@H]1CC(=O)[C@@H](O)CCCCC[C@@H](C)OC1=O
InChIInChI=1S/C27H44O10S/c1-18(10-6-3-4-8-12-20(28)14-15-25(32)33)36-26(34)23(31)17-38-24-16-22(30)21(29)13-9-5-7-11-19(2)37-27(24)35/h14-15,18-21,23-24,28-29,31H,3-13,16-17H2,1-2H3,(H,32,33)/t18-,19-,20+,21+,23-,24+/m1/s1
InChIKeyWNKIJOAGEYHZFZ-BXFVOWPLSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - PubMed (32888671)
ChEBI Ontology
Outgoing Relation(s)
Thiocladospolide I (CHEBI:215584) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(4S,11R)-4-hydroxy-11-[(2S)-2-hydroxy-3-[[(3S,6S,12R)-6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-3-yl]sulanyl]propanoyl]oxydodec-2-enoic acid