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CHEBI:62091 - germacra-1(10),4,11(13)-trien-12-al

ChEBI IDCHEBI:62091
ChEBI Namegermacra-1(10),4,11(13)-trien-12-al
Stars
DefinitionA sesquiterpenoid resulting formally from germacrane by oxidation at C(12) together with dehydrogenation across the C(1)‒C(10), C(4)‒C(5) and C(11)‒C(13) bonds.
Last Modified20 May 2011
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H22O
Net Charge0
Average Mass218.340
Monoisotopic Mass218.16707
SMILESC=C(C=O)[C@H]1C/C=C(\C)CC/C=C(\C)CC1
InChIInChI=1S/C15H22O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,11,15H,3-4,6-7,9-10H2,1-2H3/b12-5+,13-8+/t15-/m1/s1
InChIKeyAXUADEXBLHHYAJ-KGSGWQTPSA-N
ChEBI Ontology
Outgoing Relation(s)
germacra-1(10),4,11(13)-trien-12-al (CHEBI:62091) has parent hydride germacrene A (CHEBI:36517)
germacra-1(10),4,11(13)-trien-12-al (CHEBI:62091) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enal
Synonym  Source
2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]acrylaldehydeIUPAC
UniProt Name  Source
germacra-1(10),4,11(13)-trien-12-alUniProt
Manual XrefsDatabases
CPD-9412MetaCyc
Registry NumbersSources
Reaxys:8914199Reaxys