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

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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
ChEBI ID CHEBI:182249
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28O7
Net Charge 0
Average Mass 392.448
Monoisotopic Mass 392.18350
InChI InChI=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+
InChIKey LOFBWESEBFUNJU-GFFSLUEMSA-N
SMILES O1C2C(C(OC(=O)C(CC)C)C(OC)C(=CCCC(=C2)CO)C=O)C(C1=O)=C
ChEBI Ontology
Outgoing [(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