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CHEBI:227613 - Cochlearol O

ChEBI IDCHEBI:227613
ChEBI NameCochlearol O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILESCC1(C)[C@@H]2CC[C@@](CC(=O)c3cc(O)ccc3O)(C(=O)O)CC2=CC[C@@H]1O
InChIInChI=1S/C21H26O6/c1-20(2)15-7-8-21(19(26)27,10-12(15)3-6-18(20)25)11-17(24)14-9-13(22)4-5-16(14)23/h3-5,9,15,18,22-23,25H,6-8,10-11H2,1-2H3,(H,26,27)/t15-,18+,21-/m1/s1
InChIKeyVRNLFGHQVVPEKR-FYINFDKHSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (30947089)
ChEBI Ontology
Outgoing Relation(s)
Cochlearol O (CHEBI:227613) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(2R,4aR,6S)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-hydroxy-5,5-dimethyl-1,3,4,4a,6,7-hexahydronaphthalene-2-carboxylic acid