CHEBI:220264 - Asperolan

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Asperolan
ChEBI ID CHEBI:220264
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H24O3
Net Charge 0
Average Mass 276.376
Monoisotopic Mass 276.17254
InChI InChI=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
InChIKey NMNQXZIFJKIZPG-XNFYSYIQSA-N
SMILES O=C(OC1=C(C(O)=C(C)C=C1C)C)/C(=C/[C@H](CC)C)/C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78435309 ChemSpider
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