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CHEBI:227623 - Cochlearol Q

ChEBI IDCHEBI:227623
ChEBI NameCochlearol Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O8
Net Charge0
Average Mass408.447
Monoisotopic Mass408.17842
SMILESCC(C)(O)[C@H]1CCC2(C)OC(CC(=O)c3cc(O)ccc3O)(C(=O)O)CC[C@H]2O1
InChIInChI=1S/C21H28O8/c1-19(2,27)16-6-8-20(3)17(28-16)7-9-21(29-20,18(25)26)11-15(24)13-10-12(22)4-5-14(13)23/h4-5,10,16-17,22-23,27H,6-9,11H2,1-3H3,(H,25,26)/t16-,17-,20?,21?/m1/s1
InChIKeyVIJFMPKZZDWKGZ-FBIZOPLVSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (30947089)
ChEBI Ontology
Outgoing Relation(s)
Cochlearol Q (CHEBI:227623) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(4aR,6R)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-(2-hydroxypropan-2-yl)-8a-methyl-3,4,4a,6,7,8-hexahydropyrano[3,2-b]pyran-2-carboxylic acid