MSI_000015772

Reliable

排名分数: 3.45
参考来源: Vitis vinifera (PO:0009085: exocarp)

M/z: 701.4098
Mass Window: 701.4098 ~ 701.4098 (0.3 ppm)

参考注释

4,5-dihydroxy-6-(hydroxymethyl)-2-[6-(hydroxymethyl)-3a,3b,6,9a-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-6-methyloxane-2-carboxylic acid_[M+H]+ (BioDeep_00002153068)
4,5-dihydroxy-6-(hydroxymethyl)-2-[6-(hydroxymethyl)-3a,3b,6,9a-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-6-methyloxane-2-carboxylic acid

Formula: C36H60O13 (700.403371)
SMILES: CC1(CO)OC(C(=O)O)(C2CCC3(C)C2CCC2C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(CO)C4CCC23C)CC(O)C1O