CHEBI:224977 - Aspergiolide 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 Aspergiolide A
ChEBI ID CHEBI:224977
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H16O9
Net Charge 0
Average Mass 460.394
Monoisotopic Mass 460.07943
InChI InChI=1S/C25H16O9/c1-8-3-10(26)6-14(29)16(8)22(31)21-18-12-5-11(27)7-15(30)17(12)23(32)19-13(28)4-9(2)24(20(18)19)34-25(21)33/h3-7,26-30H,1-2H3
InChIKey XDYWIHGBFULPRQ-UHFFFAOYSA-N
SMILES O=C1OC2=C3C(C(=O)C4=C(C3=C1C(=O)C5=C(O)C=C(O)C=C5C)C=C(O)C=C4O)=C(O)C=C2C
Metabolite of Species Details
Aspergillus glaucus (NCBI:txid41413) See: DOI
ChEBI Ontology
Outgoing Aspergiolide A (CHEBI:224977) is a organic heterotricyclic compound (CHEBI:26979)
Aspergiolide A (CHEBI:224977) is a organooxygen compound (CHEBI:36963)
IUPAC Name
16-(2,4-dihydroxy-6-methylbenzoyl)-4,6,10-trihydroxy-12-methyl-14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaene-8,15-dione
Manual Xref Database
17214386 ChemSpider
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