CHEBI:213639 - Aculeatusquinone A

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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 Aculeatusquinone A
ChEBI ID CHEBI:213639
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O5
Net Charge 0
Average Mass 288.299
Monoisotopic Mass 288.09977
InChI InChI=1S/C16H16O5/c1-7-5-11(17)8(2)12(6-7)21-16-10(4)14(19)13(18)9(3)15(16)20/h5-6,17-18H,1-4H3
InChIKey UYEYZGKXIGOAJX-UHFFFAOYSA-N
SMILES O=C1C(OC2=C(C(O)=CC(=C2)C)C)=C(C(=O)C(=C1C)O)C
Metabolite of Species Details
Aspergillus aculeatus (NCBI:txid5053) See: DOI
ChEBI Ontology
Outgoing Aculeatusquinone A (CHEBI:213639) is a phenols (CHEBI:33853)
Aculeatusquinone A (CHEBI:213639) is a xylene (CHEBI:27338)
IUPAC Name
2-hydroxy-5-(3-hydroxy-2,5-dimethylphenoxy)-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
Manual Xref Database
28945545 ChemSpider
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