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CHEBI:63710 - 7-epi-sesquithujene

ChEBI IDCHEBI:63710
ChEBI Name7-epi-sesquithujene
Stars
ASCII Name7-epi-sesquithujene
DefinitionA sesquiterpene that consists of (1S,5R)-2-methylbicyclo[3.1.0]hex-2-ene having a (2R)-6-methylhept-5-en-2-yl group attached at position 5.
Last Modified10 September 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC(C)=CCC[C@@H](C)[C@@]12CC=C(C)[C@@H]1C2
InChIInChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3/t13-,14+,15+/m1/s1
InChIKeyUCQHFDKBUHCAFR-ILXRZTDVSA-N
Species of MetaboliteComponentSourceComments
Phoebe porosa (IPNI:193807-2) - PubMed (21574561) compound isolated from phoebe oil, an essential oil of Phoebe porosa
Zea mays (ncbitaxon:4577)
husk (BTO:0000609) PubMed (21574561) Volatile compound collected from husks of B73 inbred line
leaf (BTO:0000713) PubMed (21574561) Volatile compound collected from husks of B73 inbred line
Fraxinus americana (ncbitaxon:38872) - PubMed (21574561) Dichloromethane extract of volatile compound collected from freshly cut white ash
Ocimum basilicum (ncbitaxon:39350) - PubMed (21574561) compound isolated in ZIS(alpha-zingeberene synthase) gene overexpressed in transgenic tomato
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
7-epi-sesquithujene (CHEBI:63710) has role metabolite (CHEBI:25212)
7-epi-sesquithujene (CHEBI:63710) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1S,5R)-2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hex-2-ene
Synonym  Source
(+)-7-epi-sesquithujeneChEBI
UniProt Name  Source
7-epi-sesquithujeneUniProt
Registry NumbersSources
Reaxys:19474582Reaxys
Citations