MSI_000011192

Unreliable

排名分数: 1.82
参考来源: Mus musculus (UBERON:0012378: muscle layer of urinary bladder)

M/z: 989.1498
Mass Window: 989.1498 ~ 989.1498 (none)

参考注释

4-methoxy-4-oxo-2-[3,7,8-trihydroxy-5-({[5-hydroxy-2,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl]oxy}carbonyl)-2-oxo-3,4-dihydro-1-benzopyran-4-yl]butanoic acid_[M+H]+ (BioDeep_00002083137)
4-methoxy-4-oxo-2-[3,7,8-trihydroxy-5-({[5-hydroxy-2,4-bis(3,4,5-trihydroxybenzoyloxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl]oxy}carbonyl)-2-oxo-3,4-dihydro-1-benzopyran-4-yl]butanoic acid

Formula: C42H36O28 (988.1393056)
SMILES:

COC(=O)CC(C(=O)O)C1c2c(C(=O)OC3C(OC(=O)c4cc(O)c(O)c(O)c4)OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C3OC(=O)c3cc(O)c(O)c(O)c3)cc(O)c(O)c2OC(=O)C1O