2-trans,4-trans-xanthoxin (CHEBI:91126)

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ChEBI Name	*2-trans,4-trans-xanthoxin*

ChEBI ID	CHEBI:91126

ChEBI ASCII Name	2-trans,4-trans-xanthoxin

Definition	An apo carotenoid sesquiterpenoid that is xanthoxin in which the double bonds at positions 2 and 4 have E (trans) configuration.

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

Submitter	Nevila Nouspikel

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O3

Net Charge

Average Mass

250.334

Monoisotopic Mass

250.15689

InChI

InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6+/t12-,14+,15-/m0/s1

InChIKey

ZTALKMXOHWQNIA-LVMPZUNDSA-N

SMILES

[C@@]12(C(C[C@H](O)C[C@@]1(C)O2)(C)C)/C=C/C(=C/C([H])=O)/C

Metabolite of Species	Details
Pueraria montana (NCBI:txid132459)	Found in leaf (BTO:0000713). See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. plant growth retardant

ChEBI Ontology
Outgoing	2-trans,4-trans-xanthoxin (CHEBI:91126) has role plant growth retardant (CHEBI:35219) 2-trans,4-trans-xanthoxin (CHEBI:91126) has role plant metabolite (CHEBI:76924) 2-trans,4-trans-xanthoxin (CHEBI:91126) is a apo carotenoid sesquiterpenoid (CHEBI:36758) 2-trans,4-trans-xanthoxin (CHEBI:91126) is a enal (CHEBI:51688) 2-trans,4-trans-xanthoxin (CHEBI:91126) is a epoxide (CHEBI:32955)

IUPAC Name

(2E,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methylpenta-2,4-dienal

Last Modified

08 April 2016