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CHEBI:219121 - (-)-cochlactone A

ChEBI IDCHEBI:219121
ChEBI Name(-)-cochlactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILESCC1(C)CCC[C@@]23C[C@@](CC(=O)c4cc(O)ccc4O)(CC[C@H]12)C(=O)O3
InChIInChI=1S/C21H26O5/c1-19(2)7-3-8-21-12-20(18(25)26-21,9-6-17(19)21)11-16(24)14-10-13(22)4-5-15(14)23/h4-5,10,17,22-23H,3,6-9,11-12H2,1-2H3/t17-,20+,21-/m1/s1
InChIKeyFXMUSHRKJDUFQJ-JRGCBEDISA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (29707952)
ChEBI Ontology
Outgoing Relation(s)
(-)-cochlactone A (CHEBI:219121) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(1R,6R,9R)-9-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5,5-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-one
Manual XrefsDatabases
78441839ChemSpider