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CHEBI:228869 - Eupalinolide A

ChEBI IDCHEBI:228869
ChEBI NameEupalinolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O9
Net Charge0
Average Mass462.495
Monoisotopic Mass462.18898
SMILESC=C1C(=O)OC2C=C(C)C(OC(C)=O)CC=C(COC(C)=O)CC(OC(=O)C(C)=CCO)C12
InChIInChI=1S/C24H30O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,19-22,25H,3,7,9,11-12H2,1-2,4-5H3
InChIKeyHPWMABTYJYZFLK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Eupalinolide A (CHEBI:228869) is a germacranolide (CHEBI:73011)
IUPAC Name 
[9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-4-yl] 4-hydroxy-2-methylbut-2-enoate