MSI_000017556
Reliable
排名分数: 2.1
参考来源: Vitis vinifera (PO:0009087: mesocarp)
M/z: 949.0785
Mass Window: 949.078 ~ 949.079 (3.9 ppm)
参考注释
(1r,2r,20s,22s,23s,32s,34s,36r)-7,8,9,12,13,14,28,29,30,34,36-undecahydroxy-4,17,25,33,37-pentaoxo-3,18,21,24,38-pentaoxaheptacyclo[18.18.0.0²,²³.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁶]octatriaconta-5(10),6,8,11,13,15,26,28,30-nonaen-22-yl 3,4,5-trihydroxybenzoate_[M+Na]+ (BioDeep_00002147091)(1r,2r,20s,22s,23s,32s,34s,36r)-7,8,9,12,13,14,28,29,30,34,36-undecahydroxy-4,17,25,33,37-pentaoxo-3,18,21,24,38-pentaoxaheptacyclo[18.18.0.0²,²³.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁶]octatriaconta-5(10),6,8,11,13,15,26,28,30-nonaen-22-yl 3,4,5-trihydroxybenzoate
Formula: C40H30O26 (926.102528)
SMILES:
O=C(O[C@@H]1O[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]3[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1[C@@H]1C(=O)[C@@H](O)C[C@]1(O)C(=O)O[C@H]23)c1cc(O)c(O)c(O)c1
