Asperjinone (CHEBI:222293)

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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	Asperjinone

ChEBI ID	CHEBI:222293

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H20O6

Net Charge

Average Mass

380.396

Monoisotopic Mass

380.12599

InChI

InChI=1S/C22H20O6/c1-22(2)18(28-22)11-14-9-12(3-8-17(14)24)10-16-19(21(26)27-20(16)25)13-4-6-15(23)7-5-13/h3-9,18,23-24H,10-11H2,1-2H3/t18-/m0/s1

InChIKey

CKIQGFVEMXGQMC-SFHVURJKSA-N

SMILES

O=C1OC(=O)C(=C1C2=CC=C(O)C=C2)CC3=CC(=C(O)C=C3)C[C@@H]4OC4(C)C

Metabolite of Species	Details
Aspergillus terreus (NCBI:txid33178)	See: PubMed

ChEBI Ontology
Outgoing	Asperjinone (CHEBI:222293) is a phenols (CHEBI:33853)

IUPAC Name

3-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-(4-hydroxyphenyl)uran-2,5-dione