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CHEBI:222682 - (-)-applanatumol N

ChEBI IDCHEBI:222682
ChEBI Name(-)-applanatumol N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O7
Net Charge0
Average Mass322.313
Monoisotopic Mass322.10525
SMILESO=C(C[C@@]1(C(=O)O)CCC=C(CO)[C@@H]1O)c1cc(O)ccc1O
InChIInChI=1S/C16H18O7/c17-8-9-2-1-5-16(14(9)21,15(22)23)7-13(20)11-6-10(18)3-4-12(11)19/h2-4,6,14,17-19,21H,1,5,7-8H2,(H,22,23)/t14-,16-/m0/s1
InChIKeyGUVHIYQXEZUQDO-HOCLYGCPSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/j.tet.2016.06.019)
ChEBI Ontology
Outgoing Relation(s)
(-)-applanatumol N (CHEBI:222682) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1S,2S)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2-hydroxy-3-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid
Manual XrefsDatabases
78441401ChemSpider