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CHEBI:205082 - Asperolide A

ChEBI IDCHEBI:205082
ChEBI NameAsperolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O5
Net Charge0
Average Mass288.299
Monoisotopic Mass288.09977
SMILESC[C@]12C3=CC(=O)OCC3=C[C@H]3OC(=O)[C@@](C)(C=C[C@H]1O)[C@H]32
InChIInChI=1S/C16H16O5/c1-15-4-3-11(17)16(2)9-6-12(18)20-7-8(9)5-10(13(15)16)21-14(15)19/h3-6,10-11,13,17H,7H2,1-2H3/t10-,11-,13+,15+,16+/m1/s1
InChIKeyJYBNWLHGCZDZAC-VWHJJCLCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (22283451)
ChEBI Ontology
Outgoing Relation(s)
Asperolide A (CHEBI:205082) is a organic heterotricyclic compound (CHEBI:26979)
Asperolide A (CHEBI:205082) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,9R,12S,15R,16R)-15-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,13-triene-4,11-dione
Manual XrefsDatabases
28289677ChemSpider