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CHEBI:203007 - Melleolide L

ChEBI IDCHEBI:203007
ChEBI NameMelleolide L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27ClO7
Net Charge0
Average Mass450.915
Monoisotopic Mass450.14453
SMILESCc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@]12O)CC(C)(C)[C@@H]3O
InChIInChI=1S/C23H27ClO7/c1-10-16(13(26)6-14(27)18(10)24)20(29)31-15-8-22(4)17-11(7-21(2,3)19(17)28)5-12(9-25)23(15,22)30/h5-6,9,11,15,17,19,26-28,30H,7-8H2,1-4H3/t11-,15-,17-,19-,22-,23+/m1/s1
InChIKeyQXPGYRDUXBYJHG-NDVLAHOZSA-N
Species of MetaboliteComponentSourceComments
Armillaria mellea (ncbitaxon:47429) - PubMed (10805573)
ChEBI Ontology
Outgoing Relation(s)
Melleolide L (CHEBI:203007) is a benzoate ester (CHEBI:36054)
Melleolide L (CHEBI:203007) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aS,7R,7aS,7bR)-3-ormyl-2a,7-dihydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloro-4,6-dihydroxy-2-methylbenzoate
Manual XrefsDatabases
8519236ChemSpider