MSI_000018015
Reliable
排名分数: 0.69
参考来源: Vitis vinifera (PO:0009087: mesocarp)
M/z: 485.0436
Mass Window: 485.0435 ~ 485.0437 (0.9 ppm)
参考注释
methyl 3,4,5-trihydroxy-2-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}benzoate_[M+H]+ (BioDeep_00002067176)methyl 3,4,5-trihydroxy-2-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}benzoate
Formula: C22H12O13 (484.0277902)
SMILES:
COC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c2oc(=O)c3cc(O)c(O)c4oc(=O)c1c2c43
