CHEBI:204896 - Agnestadride B

ChEBI IDCHEBI:204896
ChEBI NameAgnestadride B
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SubmitterMetaboLights
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FormulaC18H18O5
Net Charge0
Average Mass314.337
Monoisotopic Mass314.11542
SMILESCCC=CC1=C2CCC3=C(C(=O)OC3=O)C(CCC)=C2OC1=O
InChIInChI=1S/C18H18O5/c1-3-5-7-11-10-8-9-13-14(18(21)23-17(13)20)12(6-4-2)15(10)22-16(11)19/h5,7H,3-4,6,8-9H2,1-2H3
InChIKeyLZVAVELRNPTDSM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - PubMed (26452099)
ChEBI Ontology
Outgoing Relation(s)
Agnestadride B (CHEBI:204896) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
6-but-1-enyl-2-propyl-4,12-dioxatricyclo[8.3.0.03,7]trideca-1(10),2,6-triene-5,11,13-trione
Manual XrefsDatabases
78435462ChemSpider