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CHEBI:199531 - (+)-applanatumol I

ChEBI IDCHEBI:199531
ChEBI Name(+)-applanatumol I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O8
Net Charge0
Average Mass336.296
Monoisotopic Mass336.08452
SMILESO=C(C[C@]12CC[C@@H](O)[C@@]1(C(=O)O)COC2=O)c1cc(O)ccc1O
InChIInChI=1S/C16H16O8/c17-8-1-2-10(18)9(5-8)11(19)6-15-4-3-12(20)16(15,13(21)22)7-24-14(15)23/h1-2,5,12,17-18,20H,3-4,6-7H2,(H,21,22)/t12-,15+,16-/m1/s1
InChIKeyQNPQAWMNRANZDV-UHOFOFEASA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(+)-applanatumol I (CHEBI:199531) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(3aR,6R,6aS)-3a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-hydroxy-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]uran-6a-carboxylic acid
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78440776ChemSpider