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CHEBI:202306 - (+)-applanatumol M

ChEBI IDCHEBI:202306
ChEBI Name(+)-applanatumol M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O6
Net Charge0
Average Mass304.298
Monoisotopic Mass304.09469
SMILESC=C1[C@@H]2CC[C@@](CC(=O)c3cc(O)ccc3O)(C(=O)O2)[C@H]1O
InChIInChI=1S/C16H16O6/c1-8-13-4-5-16(14(8)20,15(21)22-13)7-12(19)10-6-9(17)2-3-11(10)18/h2-3,6,13-14,17-18,20H,1,4-5,7H2/t13-,14-,16-/m0/s1
InChIKeyNKSKUMZWMJJCOG-DZKIICNBSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(+)-applanatumol M (CHEBI:202306) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1S,4S,5S)-4-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-6-methylidene-2-oxabicyclo[2.2.2]octan-3-one
Manual XrefsDatabases
78440884ChemSpider