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CHEBI:225881 - Emeridone C

ChEBI IDCHEBI:225881
ChEBI NameEmeridone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O6
Net Charge0
Average Mass440.536
Monoisotopic Mass440.21989
SMILESCO[C@H]1CC(=O)C(C)(C)[C@@H]2CC[C@]3(C[C@@]4(C)C=C5C(=O)OC[C@]53C(C)=CC4=O)C(=O)[C@@]12C
InChIInChI=1S/C26H32O6/c1-14-9-18(28)23(4)11-15-20(29)32-13-26(14,15)25(12-23)8-7-16-22(2,3)17(27)10-19(31-6)24(16,5)21(25)30/h9,11,16,19H,7-8,10,12-13H2,1-6H3/t16-,19-,23+,24+,25-,26-/m0/s1
InChIKeyVZASSQNBUMJUPF-BTEJXJDISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30608689)
ChEBI Ontology
Outgoing Relation(s)
Emeridone C (CHEBI:225881) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1S,4'aS,7S,8'S,8'aR,11R)-8'-methoxy-5',5',7,8'a,10-pentamethylspiro[3-oxatricyclo[5.3.2.01,5]dodeca-5,9-diene-11,2'-4,4a,7,8-tetrahydro-3H-naphthalene]-1',4,6',8-tetrone