CHEBI:53169 - safranal

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ChEBI Name safranal
ChEBI ID CHEBI:53169
Definition A monoterpenoid formally derived from β-cyclocitral by dehydrogenation.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C10H14O
Net Charge 0
Average Mass 150.21760
Monoisotopic Mass 150.104
InChI InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
InChIKey SGAWOGXMMPSZPB-UHFFFAOYSA-N
SMILES CC1=C(C=O)C(C)(C)CC=C1
ChEBI Ontology
Outgoing safranal (CHEBI:53169) has functional parent β-cyclocitral (CHEBI:53177)
safranal (CHEBI:53169) is a monoterpenoid (CHEBI:25409)
IUPAC Name
2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
Synonyms Sources
(2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal ChemIDplus
1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene ChemIDplus
2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde ChemIDplus
2,6,6-Trimethylcyclohexa-1,3-dienyl methanal ChemIDplus
Dehydro-beta-cyclocitral ChemIDplus
Manual Xref Database
C17062 KEGG COMPOUND
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Registry Numbers Types Sources
116-26-7 CAS Registry Number SUBMITTER
116-26-7 CAS Registry Number ChemIDplus
Last Modified
28 July 2014