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CHEBI:182679 - [(6Z,10Z)-10-(Acetyloxymethyl)-6-formyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate

ChEBI IDCHEBI:182679
ChEBI Name[(6Z,10Z)-10-(Acetyloxymethyl)-6-formyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O7
Net Charge0
Average Mass404.459
Monoisotopic Mass404.18350
SMILESC=C1C(=O)OC2/C=C(\COC(C)=O)CC/C=C(\C=O)CC(OC(=O)C(C)CC)C12
InChIInChI=1S/C22H28O7/c1-5-13(2)21(25)28-18-9-16(11-23)7-6-8-17(12-27-15(4)24)10-19-20(18)14(3)22(26)29-19/h7,10-11,13,18-20H,3,5-6,8-9,12H2,1-2,4H3/b16-7-,17-10-
InChIKeyALJXWCROGAMOBL-GEVOZVPXSA-N
ChEBI Ontology
Outgoing Relation(s)
[(6Z,10Z)-10-(Acetyloxymethyl)-6-formyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate (CHEBI:182679) is a germacranolide (CHEBI:73011)
IUPAC Name 
[(6Z,10Z)-10-(acetyloxymethyl)-6-ormyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-4-yl] 2-methylbutanoate