2-cis,4-trans-xanthoxin

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

Formula: C15H22O3 (250.1569)
Chinese Name:
BioDeep ID: BioDeep_00000009458 ( View LC/MS Profile)
SMILES: [H]\C(C=O)=C(/C)\C(\[H])=C(/[H])[C@@]12O[C@]1(C)C[C@@]([H])(O)CC2(C)C



Found 3 Sample Hits

m/z Adducts Species Organ Scanning Sample
268.1889 [M+NH4]+
PPM:6.8		 Vitis vinifera Fruit MALDI (DHB)
grape_dhb_91_1 - Grape Database
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe
268.189 [M+NH4]+
PPM:6.4		 Vitis vinifera Fruit MALDI (DHB)
grape_dhb_164_1 - Grape Database
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late
268.1889 [M+NH4]+
PPM:6.8		 Vitis vinifera Fruit MALDI (DHB)
grape_dhb_163_1 - Grape Database
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

2-cis,4-trans-xanthoxin, also known as xanthoxin, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 2-cis,4-trans-xanthoxin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2-cis,4-trans-xanthoxin can be found in a number of food items such as broad bean, canola, mustard spinach, and hickory nut, which makes 2-cis,4-trans-xanthoxin a potential biomarker for the consumption of these food products. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids