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CHEBI:227410 - Spiciferone E

ChEBI IDCHEBI:227410
ChEBI NameSpiciferone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESCC[C@@](C)(C(=O)CCO)C1=CC(=O)[C@H](C)[C@@H](C)O1
InChIInChI=1S/C14H22O4/c1-5-14(4,12(17)6-7-15)13-8-11(16)9(2)10(3)18-13/h8-10,15H,5-7H2,1-4H3/t9-,10-,14+/m1/s1
InChIKeyVLRFDSXMCYGPAS-RULNRJAQSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (26641923)
ChEBI Ontology
Outgoing Relation(s)
Spiciferone E (CHEBI:227410) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2R,3R)-6-[(3R)-6-hydroxy-3-methyl-4-oxohexan-3-yl]-2,3-dimethyl-2,3-dihydropyran-4-one
Manual XrefsDatabases
78440536ChemSpider