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CHEBI:218262 - Aspergilate A

ChEBI IDCHEBI:218262
ChEBI NameAspergilate A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O9
Net Charge0
Average Mass398.408
Monoisotopic Mass398.15768
SMILESCOC(=O)C(C)COC(CC(OC)C(=O)OC)c1c(O)ccc(C(C)=O)c1O
InChIInChI=1S/C19H26O9/c1-10(18(23)26-4)9-28-14(8-15(25-3)19(24)27-5)16-13(21)7-6-12(11(2)20)17(16)22/h6-7,10,14-15,21-22H,8-9H2,1-5H3
InChIKeyPGDARPVUKDKJIG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (30385400)
ChEBI Ontology
Outgoing Relation(s)
Aspergilate A (CHEBI:218262) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl 4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-(3-methoxy-2-methyl-3-oxopropoxy)butanoate