CHEBI:214954 - 1,4-diacetoxypalitantin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1,4-diacetoxypalitantin
ChEBI ID CHEBI:214954
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H26O6
Net Charge 0
Average Mass 338.400
Monoisotopic Mass 338.17294
InChI InChI=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
InChIKey RFSDHLTWOBLSFU-OQBXEDPBSA-N
SMILES O=C1[C@H](OC(=O)C)[C@H](O)C[C@H]([C@@H]1COC(=O)C)/C=C/C=C/CCC
Metabolite of Species Details
Penicilliumspecies SK14JW2P (NCBI:txid1329777) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78441524 ChemSpider
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