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CHEBI:220145 - Aspergiloid E

ChEBI IDCHEBI:220145
ChEBI NameAspergiloid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESC=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@@H]43)[C@H]2CC1
InChIInChI=1S/C20H26O4/c1-5-18(4)10-7-13-12(11-18)14(21)20(23)15-17(2,3)8-6-9-19(13,15)16(22)24-20/h5,11,13,15,23H,1,6-10H2,2-4H3/t13-,15-,18-,19-,20+/m0/s1
InChIKeyAHEAPTSGUOGOKK-XZWBYJIQSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (23457022)
ChEBI Ontology
Outgoing Relation(s)
Aspergiloid E (CHEBI:220145) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1S,2S,5R,9S,10S)-5-ethenyl-9-hydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-ene-8,15-dione
Manual XrefsDatabases
78437650ChemSpider