EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208317 - (-)-applanatumol M

Default Structure
ChEBI IDCHEBI:208317
ChEBI Name(-)-applanatumol M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O6
Net Charge0
Average Mass304.298
Monoisotopic Mass304.09469
SMILESC=C1[C@@H](O)[C@]2(CC(=O)c3cc(O)ccc3O)CC[C@H]1OC2=O
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-/m1/s1
InChIKeyNKSKUMZWMJJCOG-IIAWOOMASA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(-)-applanatumol M (CHEBI:208317) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1R,4R,5R)-4-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-6-methylidene-2-oxabicyclo[2.2.2]octan-3-one
Manual XrefsDatabases
78441289ChemSpider