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CHEBI:175200 - Melleolide

ChEBI IDCHEBI:175200
ChEBI NameMelleolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O6
Net Charge0
Average Mass400.471
Monoisotopic Mass400.18859
SMILES[H][C@]12CC(C)(C)C[C@@]1([H])C=C(C=O)[C@]1(O)[C@H](OC(=O)c3c(C)cc(O)cc3O)C[C@]21C
InChIInChI=1S/C23H28O6/c1-12-5-15(25)7-17(26)19(12)20(27)29-18-10-22(4)16-9-21(2,3)8-13(16)6-14(11-24)23(18,22)28/h5-7,11,13,16,18,25-26,28H,8-10H2,1-4H3/t13-,16+,18-,22-,23+/m1/s1
InChIKeySJZRUQOYQZRISL-IDOJSZHESA-N
ChEBI Ontology
Outgoing Relation(s)
Melleolide (CHEBI:175200) is a benzoate ester (CHEBI:36054)
Melleolide (CHEBI:175200) 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] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
139258ChemSpider
Registry NumbersSources
CAS:82869-08-7ChemIDplus