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CHEBI:219534 - (+)-applanatumol D

ChEBI IDCHEBI:219534
ChEBI Name(+)-applanatumol D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O8
Net Charge0
Average Mass348.307
Monoisotopic Mass348.08452
SMILESO=C(C[C@]12CC[C@@H]3OC(=O)[C@H](O)[C@@]31COC2=O)c1cc(O)ccc1O
InChIInChI=1S/C17H16O8/c18-8-1-2-10(19)9(5-8)11(20)6-16-4-3-12-17(16,7-24-15(16)23)13(21)14(22)25-12/h1-2,5,12-13,18-19,21H,3-4,6-7H2/t12-,13-,16-,17+/m0/s1
InChIKeyBKXWDIMPBHNMLN-MGBSGCIJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(+)-applanatumol D (CHEBI:219534) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1R,5R,8S,11R)-5-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-11-hydroxy-3,9-dioxatricyclo[6.3.0.01,5]undecane-4,10-dione
Manual XrefsDatabases
78441377ChemSpider