MSI_000056404

Reliable

排名分数: 10.93
参考来源: DESI (NOVOCELL:BACKGROUND: blank)

M/z: 449.3614
Mass Window: 449.3613 ~ 449.3616 (1.1 ppm)

参考注释

typhasterol_[M+H]+ (BioDeep_00000014717)
14-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one

Formula: C28H48O4 (448.3552408)
SMILES:

[C@]12(CC(=O)[C@@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])[C@@H](O)[C@H](O)[C@@H](C)C(C)C)CC[C@@]21[H])[H]

2-deoxycastasterone, also known as typhasterol, belongs to trihydroxy bile acids, alcohols and derivatives class of compounds. Those are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. 2-deoxycastasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-deoxycastasterone can be found in a number of food items such as canola, kumquat, asparagus, and salmonberry, which makes 2-deoxycastasterone a potential biomarker for the consumption of these food products.