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CHEBI:223808 - (1S,6S,7R)-aspergilloid C

ChEBI IDCHEBI:223808
ChEBI Name(1S,6S,7R)-aspergilloid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCC(C)[C@H]1CC[C@H](C(=O)O)[C@H]2C(=O)CC(C(=O)O)=C[C@@H]21
InChIInChI=1S/C15H20O5/c1-7(2)9-3-4-10(15(19)20)13-11(9)5-8(14(17)18)6-12(13)16/h5,7,9-11,13H,3-4,6H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+,11-,13-/m1/s1
InChIKeyQMMHSYVPONJFRH-LSCVPOLPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - PubMed (31050424)
ChEBI Ontology
Outgoing Relation(s)
(1S,6S,7R)-aspergilloid C (CHEBI:223808) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,4R,4aS,8aS)-8-oxo-4-propan-2-yl-2,3,4,4a,7,8a-hexahydro-1H-naphthalene-1,6-dicarboxylic acid