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CHEBI:214954 - 1,4-diacetoxypalitantin

ChEBI IDCHEBI:214954
ChEBI Name1,4-diacetoxypalitantin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O6
Net Charge0
Average Mass338.400
Monoisotopic Mass338.17294
SMILESCCC/C=C/C=C/[C@@H]1C[C@@H](O)[C@@H](OC(C)=O)C(=O)[C@H]1COC(C)=O
InChIInChI=1S/C18H26O6/c1-4-5-6-7-8-9-14-10-16(21)18(24-13(3)20)17(22)15(14)11-23-12(2)19/h6-9,14-16,18,21H,4-5,10-11H2,1-3H3/b7-6+,9-8+/t14-,15+,16-,18-/m1/s1
InChIKeyRFSDHLTWOBLSFU-OQBXEDPBSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SK14JW2P (ncbitaxon:1329777) - DOI (10.1002/hlca.201300248)
ChEBI Ontology
Outgoing Relation(s)
1,4-diacetoxypalitantin (CHEBI:214954) is a carboxylic ester (CHEBI:33308)
1,4-diacetoxypalitantin (CHEBI:214954) is a ketone (CHEBI:17087)
IUPAC Name 
[(1R,3R,4R,6S)-3-acetyloxy-6-[(1E,3E)-hepta-1,3-dienyl]-4-hydroxy-2-oxocyclohexyl]methyl acetate
Manual XrefsDatabases
78441524ChemSpider