MSI_000011138

Unreliable

排名分数: 1.94
参考来源: Mus musculus (UBERON:0012378: muscle layer of urinary bladder)

M/z: 716.1442
Mass Window: 716.1442 ~ 716.1442 (none)

参考注释

(3s,4r,5s,6s,7r,11r,16r,17s,18r,19s,20s)-4,5,6,11,17,18,19,27-octahydroxy-23-(4-hydroxyphenyl)-10,13-dioxo-2,9,14,21,24λ⁴,31,32-heptaoxapentacyclo[20.6.2.1³,⁷.1¹⁶,²⁰.0²⁵,²⁹]dotriaconta-1(28),22,24,26,29-pentaen-24-ylium_[M+Na]+ (BioDeep_00002176532)
(3s,4r,5s,6s,7r,11r,16r,17s,18r,19s,20s)-4,5,6,11,17,18,19,27-octahydroxy-23-(4-hydroxyphenyl)-10,13-dioxo-2,9,14,21,24λ⁴,31,32-heptaoxapentacyclo[20.6.2.1³,⁷.1¹⁶,²⁰.0²⁵,²⁹]dotriaconta-1(28),22,24,26,29-pentaen-24-ylium

Formula: [C31H33O18]+ (693.1666818000001)
SMILES:

O=C1C[C@@H](O)C(=O)OC[C@H]2O[C@@H](Oc3cc(O)cc4[o+]c(-c5ccc(O)cc5)c(cc34)O[C@@H]3O[C@H](CO1)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O