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CHEBI:203118 - Melleolide Q

ChEBI IDCHEBI:203118
ChEBI NameMelleolide Q
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31ClO7
Net Charge0
Average Mass454.947
Monoisotopic Mass454.17583
SMILESCc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3[C@H](O)[C@@H](CO)[C@]12O
InChIInChI=1S/C23H31ClO7/c1-10-17(14(26)5-15(27)18(10)24)20(29)31-16-8-22(4)12-7-21(2,3)6-11(12)19(28)13(9-25)23(16,22)30/h5,11-13,16,19,25-28,30H,6-9H2,1-4H3/t11-,12+,13-,16-,19+,22-,23+/m1/s1
InChIKeyDEMXZQWBLZZLIK-NROMFKPGSA-N
Species of MetaboliteComponentSourceComments
Armillaria mellea (ncbitaxon:47429) - PubMed (26035099)
ChEBI Ontology
Outgoing Relation(s)
Melleolide Q (CHEBI:203118) is a benzoate ester (CHEBI:36054)
Melleolide Q (CHEBI:203118) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aR,3R,4S,4aR,7aS,7bR)-2a,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclobuta[e]inden-2-yl] 3-chloro-4,6-dihydroxy-2-methylbenzoate
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78440931ChemSpider