EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224977 - Aspergiolide A

ChEBI IDCHEBI:224977
ChEBI NameAspergiolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H16O9
Net Charge0
Average Mass460.394
Monoisotopic Mass460.07943
SMILESCc1cc(O)cc(O)c1C(=O)c1c2c3c(c(O)cc(C)c3oc1=O)C(=O)c1c(O)cc(O)cc1-2
InChIInChI=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
InChIKeyXDYWIHGBFULPRQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus glaucus (ncbitaxon:41413) - DOI (10.1016/j.tet.2006.11.074)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
17214386ChemSpider