MSI_000052249

Unreliable

排名分数: 2.24
参考来源: Homo sapiens (UBERON:0001052: rectum)

M/z: 698.5184
Mass Window: 698.5184 ~ 698.5184 (none)

参考注释

3,4-dihydroxy-5-all-trans-octaprenylbenzoate_[M+H]+ (BioDeep_00000228814)
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 (697.5195573999999)
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

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.