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CHEBI:208247 - (-)-applanatumol V

ChEBI IDCHEBI:208247
ChEBI Name(-)-applanatumol V
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O6
Net Charge0
Average Mass304.298
Monoisotopic Mass304.09469
SMILESC=C(C=O)[C@@H]1CC[C@H](C(=O)O)[C@H]1C(=O)c1cc(O)ccc1O
InChIInChI=1S/C16H16O6/c1-8(7-17)10-3-4-11(16(21)22)14(10)15(20)12-6-9(18)2-5-13(12)19/h2,5-7,10-11,14,18-19H,1,3-4H2,(H,21,22)/t10-,11-,14-/m0/s1
InChIKeyPLGMDEYIMRPUAI-MJVIPROJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(-)-applanatumol V (CHEBI:208247) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1S,2S,3R)-2-(2,5-dihydroxybenzoyl)-3-(3-oxoprop-1-en-2-yl)cyclopentane-1-carboxylic acid
Manual XrefsDatabases
78441287ChemSpider