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CHEBI:199859 - Boletunone A

ChEBI IDCHEBI:199859
ChEBI NameBoletunone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O7
Net Charge0
Average Mass326.345
Monoisotopic Mass326.13655
SMILESCOCC1=CC[C@]2(C)[C@@H](O)[C@@H]3[C@@H](C)COC(=O)[C@@H]3O[C@]2(O)C1=O
InChIInChI=1S/C16H22O7/c1-8-6-22-14(19)11-10(8)13(18)15(2)5-4-9(7-21-3)12(17)16(15,20)23-11/h4,8,10-11,13,18,20H,5-7H2,1-3H3/t8-,10+,11+,13-,15+,16+/m0/s1
InChIKeyUMNWORUSZRQBTK-KIWJTKLPSA-N
Species of MetaboliteComponentSourceComments
Caloboletus calopus (ncbitaxon:141855) - PubMed (14986984)
ChEBI Ontology
Outgoing Relation(s)
Boletunone A (CHEBI:199859) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(4R,4aS,5S,5aR,9aS,10aR)-5,9a-dihydroxy-8-(methoxymethyl)-4,5a-dimethyl-3,4,4a,5,6,10a-hexahydropyrano[3,4-b]chromene-1,9-dione
Manual XrefsDatabases
78440796ChemSpider