EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:218288 - Aspergilate E

ChEBI IDCHEBI:218288
ChEBI NameAspergilate E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O7
Net Charge0
Average Mass298.291
Monoisotopic Mass298.10525
SMILESCOC(=O)[C@@H](C[C@@H](O)c1c(O)ccc(C(C)=O)c1O)OC
InChIInChI=1S/C14H18O7/c1-7(15)8-4-5-9(16)12(13(8)18)10(17)6-11(20-2)14(19)21-3/h4-5,10-11,16-18H,6H2,1-3H3/t10-,11-/m1/s1
InChIKeyIEKKHKTZGCKOEZ-GHMZBOCLSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (30385400)
ChEBI Ontology
Outgoing Relation(s)
Aspergilate E (CHEBI:218288) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl (2R,4R)-4-(3-acetyl-2,6-dihydroxyphenyl)-4-hydroxy-2-methoxybutanoate