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CHEBI:205127 - Aspergiloid A

ChEBI IDCHEBI:205127
ChEBI NameAspergiloid A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O4
Net Charge0
Average Mass328.408
Monoisotopic Mass328.16746
SMILESCO[C@]12OC[C@@H](O)c3c(C)ccc(c31)C1=C(C2=O)C(C)(C)CCC1
InChIInChI=1S/C20H24O4/c1-11-7-8-13-12-6-5-9-19(2,3)17(12)18(22)20(23-4)16(13)15(11)14(21)10-24-20/h7-8,14,21H,5-6,9-10H2,1-4H3/t14-,20+/m1/s1
InChIKeyPRQPFHSCPMOHHX-VLIAUNLRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (22196792)
ChEBI Ontology
Outgoing Relation(s)
Aspergiloid A (CHEBI:205127) is a organic heterotricyclic compound (CHEBI:26979)
Aspergiloid A (CHEBI:205127) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(9S,12S)-12-hydroxy-9-methoxy-6,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),13,15-tetraen-8-one
Manual XrefsDatabases
28497940ChemSpider