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CHEBI:63244 - pentalen-13-al

ChEBI IDCHEBI:63244
ChEBI Namepentalen-13-al
Stars
DefinitionAn enal that is pentalen-13-ol in which the primary hydroxy group hax been oxidised to the corresponding aldehyde.
Last Modified9 October 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H22O
Net Charge0
Average Mass218.340
Monoisotopic Mass218.16707
SMILES[H][C@@]12CC[C@@H](C)[C@@]13CC(C)(C)C[C@@]3([H])C=C2C=O
InChIInChI=1S/C15H22O/c1-10-4-5-13-11(8-16)6-12-7-14(2,3)9-15(10,12)13/h6,8,10,12-13H,4-5,7,9H2,1-3H3/t10-,12-,13+,15-/m1/s1
InChIKeyJWMGZDVPJPOYGL-IKVITTDRSA-N
ChEBI Ontology
Outgoing Relation(s)
pentalen-13-al (CHEBI:63244) has functional parent pentalenene (CHEBI:17251)
pentalen-13-al (CHEBI:63244) is a enal (CHEBI:51688)
pentalen-13-al (CHEBI:63244) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3aR,5aS,8aR)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carbaldehyde
UniProt Name  Source
pentalen-13-alUniProt
Citations