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CHEBI:224827 - (+)-applanatumol L

ChEBI IDCHEBI:224827
ChEBI Name(+)-applanatumol L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O7
Net Charge0
Average Mass336.340
Monoisotopic Mass336.12090
SMILESC=C1[C@@H](O)CC[C@@](CC(=O)c2cc(O)ccc2O)(C(=O)OC)[C@H]1O
InChIInChI=1S/C17H20O7/c1-9-12(19)5-6-17(15(9)22,16(23)24-2)8-14(21)11-7-10(18)3-4-13(11)20/h3-4,7,12,15,18-20,22H,1,5-6,8H2,2H3/t12-,15-,17-/m0/s1
InChIKeyKZQCCTIIHZYRNR-NUTKFTJISA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(+)-applanatumol L (CHEBI:224827) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl (1S,2S,4S)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylate
Manual XrefsDatabases
78441419ChemSpider