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CHEBI:218282 - Aspergilate D

ChEBI IDCHEBI:218282
ChEBI NameAspergilate D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O7
Net Charge0
Average Mass298.291
Monoisotopic Mass298.10525
SMILESCOC(=O)[C@H](O)C[C@H](OC)c1c(O)ccc(C(C)=O)c1O
InChIInChI=1S/C14H18O7/c1-7(15)8-4-5-9(16)12(13(8)18)11(20-2)6-10(17)14(19)21-3/h4-5,10-11,16-18H,6H2,1-3H3/t10-,11+/m1/s1
InChIKeyQCTHNKWYLYVZEY-MNOVXSKESA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (30385400)
ChEBI Ontology
Outgoing Relation(s)
Aspergilate D (CHEBI:218282) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl (2R,4S)-4-(3-acetyl-2,6-dihydroxyphenyl)-2-hydroxy-4-methoxybutanoate