CHEBI:218229 - Asperimide 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 Asperimide A
ChEBI ID CHEBI:218229
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H21NO4
Net Charge 0
Average Mass 363.413
Monoisotopic Mass 363.14706
InChI InChI=1S/C22H21NO4/c1-13(2)3-5-16-11-14(4-10-19(16)25)12-18-20(22(27)23-21(18)26)15-6-8-17(24)9-7-15/h3-4,6-11,24-25H,5,12H2,1-2H3,(H,23,26,27)
InChIKey XAOPEJSHYOUMNB-UHFFFAOYSA-N
SMILES O=C1NC(=O)C(=C1C2=CC=C(O)C=C2)CC3=CC(=C(O)C=C3)CC=C(C)C
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: PubMed
ChEBI Ontology
Outgoing Asperimide A (CHEBI:218229) is a phenols (CHEBI:33853)
IUPAC Name
3-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-(4-hydroxyphenyl)pyrrole-2,5-dione
Manual Xref Database
101935338 ChemSpider
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