MSI_000016025

Unreliable

排名分数: 2.82
参考来源: Vitis vinifera (PO:0009085: exocarp)

M/z: 673.4245
Mass Window: 673.4243 ~ 673.4247 (1.4 ppm)

参考注释

methyl (2r,4as,6as,6br,8ar,9r,10s,12s,12ar,12bs,14bs)-9-[(acetyloxy)methyl]-10-hydroxy-2,4a,6a,6b,9,12a-hexamethyl-12-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-2-carboxylate_[M+H-H2O]+ (BioDeep_00002316742)
methyl (2r,4as,6as,6br,8ar,9r,10s,12s,12ar,12bs,14bs)-9-[(acetyloxy)methyl]-10-hydroxy-2,4a,6a,6b,9,12a-hexamethyl-12-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-2-carboxylate

Formula: C39H62O10 (690.4342752)
SMILES:

COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C[C@H](O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@]43C)[C@H]2C1