MSI_000017451

Reliable

排名分数: 2.35
参考来源: Vitis vinifera (PO:0009087: mesocarp)

M/z: 525.2883
Mass Window: 525.2883 ~ 525.2883 (0.2 ppm)

参考注释

2-[(4-{4-hydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]butyl}-3,3,5-trimethylcyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol_[M+H]+ (BioDeep_00002082814)
2-[(4-{4-hydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]butyl}-3,3,5-trimethylcyclohexyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C24H44O12 (524.2832624)
SMILES: CC1CC(OC2OC(CO)C(O)C(O)C2O)CC(C)(C)C1CCC(CO)OC1OCC(O)C(O)C1O