CHEBI:89598 - theaspirane

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ChEBI Name theaspirane
ChEBI ID CHEBI:89598
Definition A norisoprenoid with forumula C13H22O that is a flavour component found in various essential oils such as raspberry oil and passion fruit oil.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB9297052, eMolecules:532227
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Formula C13H22O
Net Charge 0
Average Mass 194.318
Monoisotopic Mass 194.16707
InChI InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3
InChIKey GYUZHTWCNKINPY-UHFFFAOYSA-N
SMILES CC1CCC2(O1)C(C)=CCCC2(C)C
Metabolite of Species Details
Ulex europaeus (NCBI:txid3902) See: PubMed
Vitex doniana (NCBI:txid479623) See: PubMed
Rydingia integrifolia (NCBI:txid483857) Found in leaf (BTO:0000713). Species also known as Otostegia integrifolia. See: DOI
Roles Classification
Biological Role(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
Application(s): fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing theaspirane (CHEBI:89598) has role flavouring agent (CHEBI:35617)
theaspirane (CHEBI:89598) has role fragrance (CHEBI:48318)
theaspirane (CHEBI:89598) has role volatile oil component (CHEBI:27311)
theaspirane (CHEBI:89598) is a norisoprenoid (CHEBI:172402)
theaspirane (CHEBI:89598) is a olefinic compound (CHEBI:78840)
theaspirane (CHEBI:89598) is a oxaspiro compound (CHEBI:37948)
theaspirane (CHEBI:89598) is a volatile organic compound (CHEBI:134179)
IUPAC Name
2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene
Synonyms Sources
1-oxaspiro-2,6,10,10-tetramethyl[4.5]dec-6-ene HMDB
1-Oxaspiro-[4,5]-2,6,10,10-tetramethyl-6-decene ChEBI
FEMA 3774 HMDB
Manual Xrefs Databases
55810 ChemSpider
FDB015771 FooDB
HMDB0036823 HMDB
US2009270516 Patent
View more database links
Registry Numbers Types Sources
1424383 Reaxys Registry Number Reaxys
36431-72-8 CAS Registry Number NIST Chemistry WebBook
36431-72-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24023812 PubMed citation Europe PMC
26321162 PubMed citation Europe PMC
30372468 PubMed citation Europe PMC
30577583 PubMed citation Europe PMC
31233876 PubMed citation Europe PMC
IND85057732 Agricola citation Europe PMC
Last Modified
07 May 2021
General Comment
2021-05-07 This is the entry for material with unspecified stereochemistry.