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CHEBI:211453 - Applanatumol J

ChEBI IDCHEBI:211453
ChEBI NameApplanatumol J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H15ClO6
Net Charge0
Average Mass326.732
Monoisotopic Mass326.05572
SMILESO=C(C[C@@]12CC[C@H](O)[C@]1(Cl)COC2=O)c1cc(O)ccc1O
InChIInChI=1S/C15H15ClO6/c16-15-7-22-13(21)14(15,4-3-12(15)20)6-11(19)9-5-8(17)1-2-10(9)18/h1-2,5,12,17-18,20H,3-4,6-7H2/t12-,14+,15+/m0/s1
InChIKeyTXJDUJRYAVNVFX-NWANDNLSSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
Applanatumol J (CHEBI:211453) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(3aR,6S,6aR)-6a-chloro-3a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]uran-3-one
Manual XrefsDatabases
78441104ChemSpider