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CHEBI:199886 - Pandangolide 2

ChEBI IDCHEBI:199886
ChEBI NamePandangolide 2
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SubmitterMetaboLights
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FormulaC14H22O6S
Net Charge0
Average Mass318.391
Monoisotopic Mass318.11371
SMILESCC1CCCCCC(O)C(=O)C(SCC(=O)O)CC(=O)O1
InChIInChI=1S/C14H22O6S/c1-9-5-3-2-4-6-10(15)14(19)11(7-13(18)20-9)21-8-12(16)17/h9-11,15H,2-8H2,1H3,(H,16,17)
InChIKeyVVKPWHINRBQMFJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pandangolide 2 (CHEBI:199886) is a macrolide (CHEBI:25106)
IUPAC Name 
2-[(6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-4-yl)sulanyl]acetic acid
Manual XrefsDatabases
8957138ChemSpider