3,4-dihydroxy-5-all-trans-octaprenylbenzoate

5-carboxy-2-hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzen-1-olate

Formula: C47H69O4 (697.5196)
Chinese Name:
BioDeep ID: BioDeep_00000228814 ( View LC/MS Profile)
SMILES: [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=CC(=CC([O-])=C1O)C(O)=O)=C(\C)CCC=C(C)C



Found 4 Sample Hits

m/z Adducts Species Organ Scanning Sample
697.5434 [M-H2O+NH4]+
PPM:0.8		 Homo sapiens esophagus DESI ()
LNTO22_1_3 - MTBLS385
Resolution: 75μm, 121x68

Description

698.5188 [M+H]+
PPM:11.5		 Homo sapiens colorectal adenocarcinoma DESI ()
520TopL, 490TopR, 510BottomL, 500BottomR-profile - MTBLS415
Resolution: 17μm, 147x131

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).
698.5184 [M+H]+
PPM:12.1		 Homo sapiens colorectal adenocarcinoma DESI ()
439TopL, 409TopR, 429BottomL, 419BottomR-profile - MTBLS415
Resolution: 17μm, 157x136

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).
715.5576 [M+NH4]+
PPM:5.9		 Homo sapiens esophagus DESI ()
TO29T - MTBLS385
Resolution: 75μm, 56x48

Description


3,4-dihydroxy-5-all-trans-octaprenylbenzoate, also known as 3-all-trans-octaprenyl-4,5-dihydroxybenzoate, is a member of the class of compounds known as tetraterpenoids. Tetraterpenoids are terpenoid molecules containing 10 consecutively linked isoprene units. 3,4-dihydroxy-5-all-trans-octaprenylbenzoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3,4-dihydroxy-5-all-trans-octaprenylbenzoate can be found in a number of food items such as quinoa, pomes, rape, and black salsify, which makes 3,4-dihydroxy-5-all-trans-octaprenylbenzoate a potential biomarker for the consumption of these food products.