EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:197935 - (-)-applanatumol G

ChEBI IDCHEBI:197935
ChEBI Name(-)-applanatumol G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O8
Net Charge0
Average Mass394.420
Monoisotopic Mass394.16277
SMILESCCO[C@H]1CC[C@@]2(CC(=O)c3cc(O)ccc3O)C(=O)OC[C@@]12C(OC)OC
InChIInChI=1S/C20H26O8/c1-4-27-16-7-8-19(10-15(23)13-9-12(21)5-6-14(13)22)17(24)28-11-20(16,19)18(25-2)26-3/h5-6,9,16,18,21-22H,4,7-8,10-11H2,1-3H3/t16-,19+,20-/m0/s1
InChIKeyFKTBPUPWFHCNQN-DBVUQKKJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(-)-applanatumol G (CHEBI:197935) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(3aS,6S,6aR)-3a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6a-(dimethoxymethyl)-6-ethoxy-1,4,5,6-tetrahydrocyclopenta[c]uran-3-one
Manual XrefsDatabases
78440701ChemSpider