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CHEBI:215532 - Asperolide B

ChEBI IDCHEBI:215532
ChEBI NameAsperolide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O5
Net Charge0
Average Mass288.299
Monoisotopic Mass288.09977
SMILESC[C@]12C(=O)O[C@@H]3C=C4COC(=O)C=C4[C@@](C)(C[C@@H]4O[C@@H]41)[C@@H]32
InChIInChI=1S/C16H16O5/c1-15-5-10-13(20-10)16(2)12(15)9(21-14(16)18)3-7-6-19-11(17)4-8(7)15/h3-4,9-10,12-13H,5-6H2,1-2H3/t9-,10+,12-,13+,15-,16-/m1/s1
InChIKeyYESVFYJUFXNDLO-AZPXEMHPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (22283451)
ChEBI Ontology
Outgoing Relation(s)
Asperolide B (CHEBI:215532) is a organic heterotricyclic compound (CHEBI:26979)
Asperolide B (CHEBI:215532) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,9R,12R,13R,15S,17R)-1,12-dimethyl-5,10,14-trioxapentacyclo[7.7.1.02,7.012,17.013,15]heptadeca-2,7-diene-4,11-dione
Manual XrefsDatabases
29214724ChemSpider