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CHEBI:53169 - safranal
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ChEBI Ontology
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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
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Formula
C10H14O
Net Charge
0
Average Mass
150.21760
Monoisotopic Mass
150.10447
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
View more database links
Registry Numbers
Types
Sources
116-26-7
CAS Registry Number
SUBMITTER
116-26-7
CAS Registry Number
ChemIDplus
Last Modified
28 July 2014