EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205620 - Asperolide D

ChEBI IDCHEBI:205620
ChEBI NameAsperolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O6
Net Charge0
Average Mass304.298
Monoisotopic Mass304.09469
SMILESC[C@@]12C(=O)C=C[C@]3(C)C(=O)O[C@H](C=C4COC(=O)C[C@@]41O)[C@H]23
InChIInChI=1S/C16H16O6/c1-14-4-3-10(17)15(2)12(14)9(22-13(14)19)5-8-7-21-11(18)6-16(8,15)20/h3-5,9,12,20H,6-7H2,1-2H3/t9-,12+,14+,15+,16-/m1/s1
InChIKeyZHIHYYQOBIIYQJ-NOGGTJNGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27257768)
ChEBI Ontology
Outgoing Relation(s)
Asperolide D (CHEBI:205620) is a organic heterotricyclic compound (CHEBI:26979)
Asperolide D (CHEBI:205620) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,9R,12S,16R)-2-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-7,13-diene-4,11,15-trione
Manual XrefsDatabases
60597157ChemSpider