MSI_000017452

Reliable

排名分数: 2.34
参考来源: Vitis vinifera (PO:0009087: mesocarp)

M/z: 622.0885
Mass Window: 622.0884 ~ 622.0885 (0.6 ppm)

参考注释

methyl (1s,7s,8r,17r)-4-chloro-8,13,15,20,22,25-hexahydroxy-29-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate_[M]+ (BioDeep_00002057508)
methyl (1s,7s,8r,17r)-4-chloro-8,13,15,20,22,25-hexahydroxy-29-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate

Formula: C31H23ClO12 (622.0877988)
SMILES: COC(=O)[C@]12Oc3c(Cl)c4c(c(O)c3C(O)=C1C(=O)CC[C@H]2O)[C@@H]1C(=O)C2=C(O)c3c(O)ccc(O)c3C(=O)[C@]2(C=C1C)C4