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CHEBI:198988 - Melleolide K

ChEBI IDCHEBI:198988
ChEBI NameMelleolide K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27ClO6
Net Charge0
Average Mass434.916
Monoisotopic Mass434.14962
SMILESCc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3C=C(C=O)[C@]12O
InChIInChI=1S/C23H27ClO6/c1-11-18(15(26)6-16(27)19(11)24)20(28)30-17-9-22(4)14-8-21(2,3)7-12(14)5-13(10-25)23(17,22)29/h5-6,10,12,14,17,26-27,29H,7-9H2,1-4H3/t12-,14+,17-,22-,23+/m1/s1
InChIKeyUHFQTECWVLYLBG-PPUVGZBRSA-N
Species of MetaboliteComponentSourceComments
Armillaria mellea (ncbitaxon:47429) - PubMed (10805573)
ChEBI Ontology
Outgoing Relation(s)
Melleolide K (CHEBI:198988) is a benzoate ester (CHEBI:36054)
Melleolide K (CHEBI:198988) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aS,7aS,7bR)-3-ormyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloro-4,6-dihydroxy-2-methylbenzoate
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