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CHEBI:182249 - [(6Z,10Z)-6-Formyl-10-(hydroxymethyl)-5-methoxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate

ChEBI IDCHEBI:182249
ChEBI Name[(6Z,10Z)-6-Formyl-10-(hydroxymethyl)-5-methoxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O7
Net Charge0
Average Mass392.448
Monoisotopic Mass392.18350
SMILESC=C1C(=O)OC2/C=C(\CO)CC/C=C(\C=O)C(OC)C(OC(=O)C(C)CC)C12
InChIInChI=1S/C21H28O7/c1-5-12(2)20(24)28-19-17-13(3)21(25)27-16(17)9-14(10-22)7-6-8-15(11-23)18(19)26-4/h8-9,11-12,16-19,22H,3,5-7,10H2,1-2,4H3/b14-9-,15-8+
InChIKeyLOFBWESEBFUNJU-GFFSLUEMSA-N
ChEBI Ontology
Outgoing Relation(s)
[(6Z,10Z)-6-Formyl-10-(hydroxymethyl)-5-methoxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate (CHEBI:182249) is a germacranolide (CHEBI:73011)
IUPAC Name 
[(6Z,10Z)-6-ormyl-10-(hydroxymethyl)-5-methoxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-4-yl] 2-methylbutanoate