MSI_000009081

Unreliable

排名分数: 3.09
参考来源: Mus musculus (UBERON:0004645: urinary bladder urothelium)

M/z: 800.5373
Mass Window: 800.5373 ~ 800.5373 (none)

参考注释

(2r)-3-[(2s,5s,6s,10s)-10-[(2s)-4-[(1r,3s,6'r,8'r,8'as)-8'-hydroxy-6'-[(1s,3s)-1-hydroxy-3-[(3r,6s)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydrospiro[cyclopentane-1,2'-pyrano[3,2-b]pyran]-3-yl]but-3-en-2-yl]-5-hydroxy-8-methyl-1-oxaspiro[5.5]undec-7-en-2-yl]-2-hydroxy-2-methylpropanoic acid_[M]+ (BioDeep_00002091775)
(2r)-3-[(2s,5s,6s,10s)-10-[(2s)-4-[(1r,3s,6'r,8'r,8'as)-8'-hydroxy-6'-[(1s,3s)-1-hydroxy-3-[(3r,6s)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydrospiro[cyclopentane-1,2'-pyrano[3,2-b]pyran]-3-yl]but-3-en-2-yl]-5-hydroxy-8-methyl-1-oxaspiro[5.5]undec-7-en-2-yl]-2-hydroxy-2-methylpropanoic acid

Formula: C46H72O11 (800.5074362)
SMILES:

C=C1[C@@H](O)[C@@H]2O[C@@]3(CCC2O[C@H]1[C@@H](O)C[C@H](C)C1O[C@@]2(CCCCO2)CC[C@H]1C)CC[C@H](C=C[C@@H](C)[C@H]1CC(C)=C[C@]2(C1)O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]2O)C3