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CHEBI:89598 - theaspirane

ChEBI IDCHEBI:89598
ChEBI Nametheaspirane
Stars
DefinitionA norisoprenoid with forumula C13H22O that is a flavour component found in various essential oils such as raspberry oil and passion fruit oil.
Last Modified7 May 2021
DownloadsMolfile
FormulaC13H22O
Net Charge0
Average Mass194.318
Monoisotopic Mass194.16707
SMILESCC1=CCCC(C)(C)C12CCC(C)O2
InChIInChI=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
InChIKeyGYUZHTWCNKINPY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulex europaeus (ncbitaxon:3902) - PubMed (30372468)
Vitex doniana (ncbitaxon:479623) - PubMed (28286547)
Rydingia integrifolia (ncbitaxon:483857) leaf (BTO:0000713) DOI (10.1016/j.phytochem.2004.03.012) Species also known as Otostegia integrifolia.
Roles Classification
Biological Roles:
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.
Applications:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-oxaspiro-2,6,10,10-tetramethyl[4.5]dec-6-eneHMDB
1-Oxaspiro-[4,5]-2,6,10,10-tetramethyl-6-deceneChEBI
FEMA 3774HMDB
Manual XrefsDatabases
HMDB0036823HMDB
FDB015771FooDB
US2009270516Patent
55810ChemSpider
Registry NumbersSources
Reaxys:1424383Reaxys
CAS:36431-72-8ChemIDplus
CAS:36431-72-8NIST Chemistry WebBook
Citations