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CHEBI:227485 - (+)-applanatumol W

ChEBI IDCHEBI:227485
ChEBI Name(+)-applanatumol W
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O6
Net Charge0
Average Mass318.325
Monoisotopic Mass318.11034
SMILESC=C(C=O)[C@H]1CC[C@@H](C(=O)OC)[C@@H]1C(=O)c1cc(O)ccc1O
InChIInChI=1S/C17H18O6/c1-9(8-18)11-4-5-12(17(22)23-2)15(11)16(21)13-7-10(19)3-6-14(13)20/h3,6-8,11-12,15,19-20H,1,4-5H2,2H3/t11-,12-,15-/m1/s1
InChIKeyVOSMLEIXNQUDNH-LALPHHSUSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(+)-applanatumol W (CHEBI:227485) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl (1R,2R,3S)-2-(2,5-dihydroxybenzoyl)-3-(3-oxoprop-1-en-2-yl)cyclopentane-1-carboxylate
Manual XrefsDatabases
78441447ChemSpider