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CHEBI:220264 - Asperolan

ChEBI IDCHEBI:220264
ChEBI NameAsperolan
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O3
Net Charge0
Average Mass276.376
Monoisotopic Mass276.17254
SMILESCC[C@H](C)/C=C(\C)C(=O)Oc1c(C)cc(C)c(O)c1C
InChIInChI=1S/C17H24O3/c1-7-10(2)8-13(5)17(19)20-16-12(4)9-11(3)15(18)14(16)6/h8-10,18H,7H2,1-6H3/b13-8+/t10-/m0/s1
InChIKeyNMNQXZIFJKIZPG-XNFYSYIQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27806646)
ChEBI Ontology
Outgoing Relation(s)
Asperolan (CHEBI:220264) is a benzoate ester (CHEBI:36054)
Asperolan (CHEBI:220264) is a phenols (CHEBI:33853)
IUPAC Name 
(3-hydroxy-2,4,6-trimethylphenyl) (E)-2,4-dimethylhex-2-enoate
Manual XrefsDatabases
78435309ChemSpider