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CHEBI:200179 - Pandangolide 3

ChEBI IDCHEBI:200179
ChEBI NamePandangolide 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O7S
Net Charge0
Average Mass362.444
Monoisotopic Mass362.13992
SMILESCOC(=O)C(O)CSC1CC(=O)OC(C)CCCCCC(O)C1=O
InChIInChI=1S/C16H26O7S/c1-10-6-4-3-5-7-11(17)15(20)13(8-14(19)23-10)24-9-12(18)16(21)22-2/h10-13,17-18H,3-9H2,1-2H3
InChIKeyVZIWNOAEUWFTFJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cladosporium herbarum (ncbitaxon:29918) - DOI (10.1021/np000401s)
ChEBI Ontology
Outgoing Relation(s)
Pandangolide 3 (CHEBI:200179) is a macrolide (CHEBI:25106)
IUPAC Name 
methyl 2-hydroxy-3-[(6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-4-yl)sulanyl]propanoate
Manual XrefsDatabases
8770195ChemSpider