MSI_000063183

Reliable

排名分数: 0.63
参考来源: Mus musculus (UBERON:0000956: cerebral cortex)

M/z: 868.4665
Mass Window: 868.4662 ~ 868.4667 (2.1 ppm)

参考注释

Cyclosquamosin C_[M+H]+ (BioDeep_00000228181)
3-[(3S,9S,12S,15S,21S,24S,27S)-24-[(2R)-butan-2-yl]-11,14,17,23,26-pentahydroxy-21-[(1S)-1-hydroxyethyl]-12-[2-(methoxysulfanyl)ethyl]-19-methyl-15-(2-methylpropyl)-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: C39H65N9O11S (867.452402)
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])(CCSOC)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 C is found in fruits.