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CHEBI:221484 - Melleolide D

ChEBI IDCHEBI:221484
ChEBI NameMelleolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31ClO7
Net Charge0
Average Mass466.958
Monoisotopic Mass466.17583
SMILESCOc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4C(C=C(CO)[C@]23O)CC(C)(C)[C@@H]4O)c(C)c1Cl
InChIInChI=1S/C24H31ClO7/c1-11-17(14(27)7-15(31-5)19(11)25)21(29)32-16-9-23(4)18-12(8-22(2,3)20(18)28)6-13(10-26)24(16,23)30/h6-7,12,16,18,20,26-28,30H,8-10H2,1-5H3/t12?,16-,18-,20-,23-,24+/m1/s1
InChIKeyUMEBHTBMSZKYQM-NKKOJTMQSA-N
Species of MetaboliteComponentSourceComments
Armillaria (ncbitaxon:47424) - DOI (10.1016/S0031-9422(00)85503-X)
ChEBI Ontology
Outgoing Relation(s)
Melleolide D (CHEBI:221484) is a benzoate ester (CHEBI:36054)
Melleolide D (CHEBI:221484) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,7R,7aS,7bR)-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate