MSI_000050484

Unreliable

排名分数: 0
参考来源: Mytilus edulis (UBERON:0009120: gill filament)

M/z: 520.1243
Mass Window: 520.1243 ~ 520.1243 (none)

参考注释

Pelargonidin 3-(6'-malonylglucoside)_[M+H]+ (BioDeep_00000003708)
3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium

Formula: C24H23O13+ (519.1138608)
SMILES: O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O)[C@H]1O

Pelargonidin 3-(6-malonylglucoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Pelargonidin 3-(6-malonylglucoside) is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Pelargonidin 3-(6-malonylglucoside) can be found in cloudberry, lupine, red raspberry, and strawberry, which makes pelargonidin 3-(6-malonylglucoside) a potential biomarker for the consumption of these food products.