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CHEBI:203993 - Sartorypyrone A

ChEBI IDCHEBI:203993
ChEBI NameSartorypyrone A
Stars
Last Modified29 July 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O5
Net Charge0
Average Mass456.623
Monoisotopic Mass456.28757
SMILESC=C1CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O
InChIInChI=1S/C28H40O5/c1-18(11-14-23-25(30)17-21(4)32-27(23)31)9-8-10-19(2)12-15-24-20(3)13-16-26(28(24,6)7)33-22(5)29/h10-11,17,24,26,30H,3,8-9,12-16H2,1-2,4-7H3/b18-11+,19-10+/t24-,26+/m1/s1
InChIKeyVDURTFXVMLMCFA-GISJPLNESA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - DOI (10.1016/j.tet.2013.07.078)
ChEBI Ontology
Outgoing Relation(s)
Sartorypyrone A (CHEBI:203993) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(1S,3R)-3-[(3E,7E)-9-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyl-4-methylidenecyclohexyl] acetate
UniProt Name  Source
sartorypyrone AUniProt
Manual XrefsDatabases
29784912ChemSpider