MSI_000015435
Reliable
排名分数: 4.94
参考来源: Vitis vinifera (PO:0009085: exocarp)
M/z: 547.0242
Mass Window: 547.0241 ~ 547.0244 (1.2 ppm)
参考注释
(20e)-4,6,23-trichloropentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2(7),3,5,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,13,16,24-tetrol_[M+Na]+ (BioDeep_00002140072)(20e)-4,6,23-trichloropentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2(7),3,5,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,13,16,24-tetrol
Formula: C28H19Cl3O4 (524.0348864)
SMILES:
Oc1ccc2cc1-c1cc(ccc1O)CCc1c(cc(Cl)c(O)c1Cl)-c1ccc(c(Cl)c1O)/C=C/2
