MSI_000018125
Reliable
排名分数: 0.41
参考来源: Vitis vinifera (PO:0009087: mesocarp)
M/z: 680.037
Mass Window: 680.037 ~ 680.037 (0.0 ppm)
参考注释
[10,14-bis(3,4-dihydroxyphenyl)-5,6,18-trihydroxy-9,15-dioxo-19-(sulfooxy)-12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1,3,5,7,10,13,16,18,20-nonaen-12-yl]acetic acid_[M+H-2H2O]+ (BioDeep_00002154706)[10,14-bis(3,4-dihydroxyphenyl)-5,6,18-trihydroxy-9,15-dioxo-19-(sulfooxy)-12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1,3,5,7,10,13,16,18,20-nonaen-12-yl]acetic acid
Formula: C34H21NO15S (715.0631876000001)
SMILES:
O=C(O)Cn1c2c(c3c1=C(c1ccc(O)c(O)c1)C(=O)c1cc(O)c(OS(=O)(=O)O)cc1-3)-c1cc(O)c(O)cc1C(=O)C=2c1ccc(O)c(O)c1
