CHEBI:205620 - Asperolide D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Asperolide D
ChEBI ID CHEBI:205620
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O6
Net Charge 0
Average Mass 304.298
Monoisotopic Mass 304.09469
InChI InChI=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
InChIKey ZHIHYYQOBIIYQJ-NOGGTJNGSA-N
SMILES O=C1C=C[C@@]2(C(=O)O[C@H]3[C@@H]2[C@]1([C@]4(O)C(=C3)COC(C4)=O)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
60597157 ChemSpider
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