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CHEBI:213951 - Aspergiolide B

ChEBI IDCHEBI:213951
ChEBI NameAspergiolide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H18O9
Net Charge0
Average Mass474.421
Monoisotopic Mass474.09508
SMILESCOc1cc(O)cc2c1C(=O)c1c(O)cc(C)c3oc(=O)c(C(=O)c4c(C)cc(O)cc4O)c-2c13
InChIInChI=1S/C26H18O9/c1-9-4-11(27)7-15(30)17(9)23(31)22-19-13-6-12(28)8-16(34-3)18(13)24(32)20-14(29)5-10(2)25(21(19)20)35-26(22)33/h4-8,27-30H,1-3H3
InChIKeyJZRWJIYIEFXUOK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus glaucus (ncbitaxon:41413) - PubMed (18986198)
ChEBI Ontology
Outgoing Relation(s)
Aspergiolide B (CHEBI:213951) is a organic heterotricyclic compound (CHEBI:26979)
Aspergiolide B (CHEBI:213951) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
16-(2,4-dihydroxy-6-methylbenzoyl)-4,10-dihydroxy-6-methoxy-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
24637894ChemSpider