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CHEBI:198172 - Cladospolide A

ChEBI IDCHEBI:198172
ChEBI NameCladospolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O4
Net Charge0
Average Mass228.288
Monoisotopic Mass228.13616
SMILESC[C@@H]1CCCCC[C@H](O)[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C12H20O4/c1-9-5-3-2-4-6-10(13)11(14)7-8-12(15)16-9/h7-11,13-14H,2-6H2,1H3/b8-7+/t9-,10+,11-/m1/s1
InChIKeyPLHJPQNLCWFPFY-OUZGJDHNSA-N
Species of MetaboliteComponentSourceComments
Cladosporium cladosporioides (ncbitaxon:29917) - DOI (10.1271/bbb1961.49.731)
ChEBI Ontology
Outgoing Relation(s)
Cladospolide A (CHEBI:198172) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5R,6S,12R)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
Manual XrefsDatabases
9195824ChemSpider