MSI_000021609

Unreliable

排名分数: 0.79
参考来源: Mus musculus (UBERON:0001499: muscle of arm)

M/z: 897.5149
Mass Window: 897.5149 ~ 897.5149 (none)

参考注释

Brevetoxin 3_[M+H]+ (BioDeep_00000176819)
12-hydroxy-14-(3-hydroxy-2-methylidenepropyl)-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.0^{3,26}.0^{5,24}.0^{7,20}.0^{9,18}.0^{11,16}.0^{30,48}.0^{33,46}.0^{35,44}.0^{37,42}]pentaconta-21,40-dien-39-one

Formula: C50H72O14 (896.4921812)
SMILES: CC1CC2OC3CC4OC(=O)C=C(C)C4OC3(C)CC2OC2CCC3(C)OC4(C)CC5OC6CC7OC8(C)C(O)CC(CC(=C)CO)OC8CC7OC6C=CCC5(C)OC4CC3OC12