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CHEBI:226918 - (-)-applanatumol R

ChEBI IDCHEBI:226918
ChEBI Name(-)-applanatumol R
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O7
Net Charge0
Average Mass324.329
Monoisotopic Mass324.12090
SMILESCC(CO)[C@@H]1CC[C@](CC(=O)c2cc(O)ccc2O)(C(=O)O)O1
InChIInChI=1S/C16H20O7/c1-9(8-17)14-4-5-16(23-14,15(21)22)7-13(20)11-6-10(18)2-3-12(11)19/h2-3,6,9,14,17-19H,4-5,7-8H2,1H3,(H,21,22)/t9?,14-,16-/m0/s1
InChIKeyVOBDLFOMWLMXRY-NTFNSIDBSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(-)-applanatumol R (CHEBI:226918) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(2S,5S)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(1-hydroxypropan-2-yl)oxolane-2-carboxylic acid
Manual XrefsDatabases
78441244ChemSpider