MSI_000008053

Unreliable

排名分数: 10.01
参考来源: Rattus norvegicus (UBERON:0004360: cauda epididymis)

M/z: 851.4583
Mass Window: 851.458 ~ 851.4588 (3.1 ppm)

参考注释

Cyclosquamosin B_[M]+ (BioDeep_00000228173)
3-[(3S,9S,12S,15S,21S,24S,27S)-24-[(2R)-butan-2-yl]-11,14,17,23,26-pentahydroxy-21-[(1S)-1-hydroxyethyl]-19-methyl-15-(2-methylpropyl)-12-[2-(methylsulfanyl)ethyl]-2,8,20-trioxo-1,7,10,13,16,19,22,25-octaazatricyclo[25.3.0.0³,⁷]triaconta-10,13,16,22,25-pentaen-9-yl]propanimidic acid

Formula: C39H65N9O10S (851.457487)
SMILES:

[H][C@@](C)(O)[C@]1([H])N=C(O)[C@@]([H])(N=C(O)[C@]2([H])CCCN2C(=O)[C@]2([H])CCCN2C(=O)[C@]([H])(CCC(O)=N)N=C(O)[C@]([H])(CCSC)N=C(O)[C@]([H])(CC(C)C)N=C(O)CN(C)C1=O)[C@]([H])(C)CC

Constituent of the seeds of Annona squamosa (sugar apple). Cyclosquamosin B is found in fruits.