MSI_000017368
Reliable
排名分数: 2.63
参考来源: Vitis vinifera (PO:0009087: mesocarp)
M/z: 616.0755
Mass Window: 616.0754 ~ 616.0755 (0.5 ppm)
参考注释
2-bromo-8-[1,1-dichloro-3-hydroxy-3-(4-methyl-5-oxooxolan-2-yl)propan-2-yl]-18-hydroxy-9,13-dimethyl-17,19-dioxapentacyclo[13.3.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]nonadeca-5(10),6,8-trien-11-one_[M]+ (BioDeep_00002136512)2-bromo-8-[1,1-dichloro-3-hydroxy-3-(4-methyl-5-oxooxolan-2-yl)propan-2-yl]-18-hydroxy-9,13-dimethyl-17,19-dioxapentacyclo[13.3.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]nonadeca-5(10),6,8-trien-11-one
Formula: C27H31BrCl2O7 (616.0630096)
SMILES:
Cc1c(C(C(Cl)Cl)C(O)C2CC(C)C(=O)O2)ccc2c1C(=O)C1C2CC(Br)C23OC(COC2O)CC13C
