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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name germacra-1(10),4,11(13)-trien-12-al
ChEBI ID CHEBI:62091
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C15H22O
Net Charge 0
Average Mass 218.33460
Monoisotopic Mass 218.16707
InChI InChI=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
InChIKey AXUADEXBLHHYAJ-KGSGWQTPSA-N
SMILES C\C1=C/CC\C(C)=C\C[C@@H](CC1)C(=C)C=O
ChEBI Ontology
Outgoing 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
Synonyms Sources
2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]acrylaldehyde IUPAC
germacra-1(10),4,11(13)-trien-12-al UniProt
Manual Xref Database
CPD-9412 MetaCyc
View more database links
Registry Number Type Source
8914199 Reaxys Registry Number Reaxys
Last Modified
20 May 2011