7-epi-sesquithujene (CHEBI:63710)

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ChEBI Name	*7-epi-sesquithujene*

ChEBI ID	CHEBI:63710

ChEBI ASCII Name	7-epi-sesquithujene

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C15H24

Net Charge

Average Mass

204.35110

Monoisotopic Mass

204.18780

InChI

InChI=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

InChIKey

UCQHFDKBUHCAFR-ILXRZTDVSA-N

SMILES

C[C@H](CCC=C(C)C)[C@@]12CC=C(C)[C@@H]1C2

Metabolite of Species	Details
Phoebe porosa (IPNI:193807-2)	compound isolated from phoebe oil, an essential oil of Phoebe porosa See: PubMed
Fraxinus americana (NCBI:txid38872)	Dichloromethane extract of volatile compound collected from freshly cut white ash See: PubMed
Ocimum basilicum (NCBI:txid39350)	compound isolated in ZIS(alpha-zingeberene synthase) gene overexpressed in transgenic tomato See: PubMed
Zea mays (NCBI:txid4577)	Found in husk (BTO:0000609). Volatile compound collected from husks of B73 inbred line See: PubMed
Zea mays (NCBI:txid4577)	Found in leaf (BTO:0000713). Volatile compound collected from husks of B73 inbred line See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
19474582	Reaxys Registry Number	Reaxys

Last Modified

10 September 2012