MSI_000018141

Reliable

排名分数: 0.38
参考来源: Vitis vinifera (PO:0009087: mesocarp)

M/z: 687.4426
Mass Window: 687.4425 ~ 687.4427 (0.6 ppm)

参考注释

7-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-10-yl acetate_[M+H-2H2O]+ (BioDeep_00002127653)
7-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-10-yl acetate

Formula: C40H66O11 (722.4604886000001)
SMILES: CC(=O)OC1CC2C(C3(C)CCC(C(C)(C)O)O3)CCC2(C)C2(C)CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4OC(C)=O)CCC3(C)C12