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CHEBI:175591 - Melleolide C

ChEBI IDCHEBI:175591
ChEBI NameMelleolide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O8
Net Charge0
Average Mass448.512
Monoisotopic Mass448.20972
SMILES[H][C@]12[C@@H](O)C(C)(C)C[C@@]1(O)C=C(CO)[C@]1(O)[C@H](OC(=O)c3c(C)cc(OC)cc3O)C[C@]21C
InChIInChI=1S/C24H32O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,16,18-19,25-27,29-30H,9-11H2,1-5H3/t16-,18-,19-,22-,23+,24+/m1/s1
InChIKeyXXMVVKDVYBWXPQ-QSNWBFGMSA-N
ChEBI Ontology
Outgoing Relation(s)
Melleolide C (CHEBI:175591) is a benzoate ester (CHEBI:36054)
Melleolide C (CHEBI:175591) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aR,7R,7aS,7bR)-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
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