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CHEBI:208861 - Boletunone B

ChEBI IDCHEBI:208861
ChEBI NameBoletunone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O6
Net Charge0
Average Mass296.319
Monoisotopic Mass296.12599
SMILESCC1=CC[C@@]2(C)[C@@H](O)[C@H]3[C@@H](C(=O)O)O[C@]2(OC[C@@H]3C)C1=O
InChIInChI=1S/C15H20O6/c1-7-4-5-14(3)12(17)9-8(2)6-20-15(14,11(7)16)21-10(9)13(18)19/h4,8-10,12,17H,5-6H2,1-3H3,(H,18,19)/t8-,9+,10-,12-,14-,15+/m0/s1
InChIKeyLBQCWNOYPONBLJ-NHPXSFINSA-N
Species of MetaboliteComponentSourceComments
Caloboletus calopus (ncbitaxon:141855) - PubMed (14986984)
ChEBI Ontology
Outgoing Relation(s)
Boletunone B (CHEBI:208861) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,6S,7S,8S,9R,13S)-7-hydroxy-3,6,9-trimethyl-2-oxo-11,12-dioxatricyclo[6.3.2.01,6]tridec-3-ene-13-carboxylic acid
Manual XrefsDatabases
9646817ChemSpider