EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:181617 - [(6Z,10E)-6-Formyl-5-methoxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate

ChEBI IDCHEBI:181617
ChEBI Name[(6Z,10E)-6-Formyl-5-methoxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILESC=C1C(=O)OC2/C=C(\C)CC/C=C(\C=O)C(OC)C(OC(=O)C(C)CC)C12
InChIInChI=1S/C21H28O6/c1-6-13(3)20(23)27-19-17-14(4)21(24)26-16(17)10-12(2)8-7-9-15(11-22)18(19)25-5/h9-11,13,16-19H,4,6-8H2,1-3,5H3/b12-10+,15-9+
InChIKeyGOSBVXYBYVZYTR-WHMVALBYSA-N
ChEBI Ontology
Outgoing Relation(s)
[(6Z,10E)-6-Formyl-5-methoxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate (CHEBI:181617) is a germacranolide (CHEBI:73011)
IUPAC Name 
[(6Z,10E)-6-ormyl-5-methoxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-4-yl] 2-methylbutanoate