CHEBI:213650 - Aculeatusquinone B

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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 B
ChEBI ID CHEBI:213650
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H20O6
Net Charge 0
Average Mass 320.341
Monoisotopic Mass 320.12599
InChI InChI=1S/C17H20O6/c1-8-6-11(18)9(2)12(7-8)23-16-14(20)10(3)13(19)15(21)17(16,4)22-5/h6-7,16,18-19H,1-5H3/t16-,17-/m1/s1
InChIKey NRPVNOLWZYAELE-IAGOWNOFSA-N
SMILES O=C1C(O)=C(C(=O)[C@H]([C@@]1(OC)C)OC2=C(C(O)=CC(=C2)C)C)C
Metabolite of Species Details
Aspergillus aculeatus (NCBI:txid5053) See: DOI
ChEBI Ontology
Outgoing Aculeatusquinone B (CHEBI:213650) is a phenols (CHEBI:33853)
Aculeatusquinone B (CHEBI:213650) is a xylene (CHEBI:27338)
IUPAC Name
(5S,6S)-3-hydroxy-6-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-ene-1,4-dione
Manual Xref Database
29215666 ChemSpider
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