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CHEBI:227246 - (+)-applanatumol E

ChEBI IDCHEBI:227246
ChEBI Name(+)-applanatumol E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O8
Net Charge0
Average Mass366.366
Monoisotopic Mass366.13147
SMILESCOC(OC)[C@]12COC(=O)[C@@]1(CC(=O)c1cc(O)ccc1O)CC[C@H]2O
InChIInChI=1S/C18H22O8/c1-24-16(25-2)18-9-26-15(23)17(18,6-5-14(18)22)8-13(21)11-7-10(19)3-4-12(11)20/h3-4,7,14,16,19-20,22H,5-6,8-9H2,1-2H3/t14-,17+,18-/m1/s1
InChIKeyVCCZNZDGMFCWPD-FHLIZLRMSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(+)-applanatumol E (CHEBI:227246) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(3aR,6R,6aS)-3a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6a-(dimethoxymethyl)-6-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]uran-3-one
Manual XrefsDatabases
78441249ChemSpider