MSI_000004457

Unreliable

排名分数: 0.57
参考来源: Homo sapiens (UBERON:0002107: liver)

M/z: 454.2425
Mass Window: 454.2425 ~ 454.2425 (none)

参考注释

Lithocholic acid 3-sulfate_[M]+ (BioDeep_00000171439)
(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-2,15-dimethyl-5-(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoate

Formula: C24H38O6S (454.2388968)
SMILES:

[H][C@@](C)(CCC([O-])=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O