2-alpha-Ethoxydihydrophytuberin

2-[(1R,3S,5R,8S,11R)-3-ethoxy-5,8-dimethyl-2,6-dioxatricyclo[6.4.0.0¹,⁵]dodecan-11-yl]propan-2-yl acetate

Formula: C19H32O5 (340.225)
Chinese Name:
BioDeep ID: BioDeep_00000227790 ( View LC/MS Profile)
SMILES: CCO[C@@H]1C[C@@]2(C)OC[C@]3(C)CC[C@H](C[C@]23O1)C(C)(C)OC(C)=O

Found 2 Sample Hits

m/z Adducts Species Organ Scanning Sample

m/z	Adducts	Species	Organ	Scanning	Sample
341.228	[M+H]+ `PPM:12.4`	Homo sapiens	colorectal adenocarcinoma	DESI ()	80TopL, 50TopR, 70BottomL, 60BottomR-profile - MTBLS415 Resolution: 17μm, 137x136 Description The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
341.2275	[M+H]+ `PPM:13.9`	Homo sapiens	NA	DESI ()	160TopL,130TopR,150BottomL,140BottomR-profile - MTBLS415 Resolution: 17μm, 142x136 Description

341.228

[M+H]+
PPM:12.4

Homo sapiens

colorectal adenocarcinoma

DESI ()

80TopL, 50TopR, 70BottomL, 60BottomR-profile - MTBLS415

Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

341.2275

[M+H]+
PPM:13.9

Homo sapiens

DESI ()

160TopL,130TopR,150BottomL,140BottomR-profile - MTBLS415

Resolution: 17μm, 142x136

Description

2-alpha-ethoxydihydrophytuberin is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 2-alpha-ethoxydihydrophytuberin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-alpha-ethoxydihydrophytuberin can be found in potato, which makes 2-alpha-ethoxydihydrophytuberin a potential biomarker for the consumption of this food product.