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CHEBI:205900 - Melleolide I

ChEBI IDCHEBI:205900
ChEBI NameMelleolide I
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]4[C@H](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-UEXMDZLUSA-N
Species of MetaboliteComponentSourceComments
Armillaria novae-zelandiae (ncbitaxon:153914) - DOI (10.7164/antibiotics.53.137)
ChEBI Ontology
Outgoing Relation(s)
Melleolide I (CHEBI:205900) is a benzoate ester (CHEBI:36054)
Melleolide I (CHEBI:205900) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aS,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
Manual XrefsDatabases
8565280ChemSpider