MSI_000011154

Unreliable

排名分数: 1.89
参考来源: Mus musculus (UBERON:0012378: muscle layer of urinary bladder)

M/z: 717.1299
Mass Window: 717.1299 ~ 717.1299 (none)

参考注释

(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione_[M+H-H2O]+ (BioDeep_00002196706)
(1s,4s,5s,9r,13s,14r)-3-[(2s,5s)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione

Formula: C31H44Br2O10 (734.1301044)
SMILES: CO[C@@H](CC[C@H](C)C1O[C@@]23C[C@H](OC(=O)C[C@H](CO)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cc(O)c(Br)cc1Br