MSI_000017595
Reliable
排名分数: 2.01
参考来源: Vitis vinifera (PO:0009087: mesocarp)
M/z: 591.0746
Mass Window: 591.0745 ~ 591.0747 (0.9 ppm)
参考注释
(8r,9s,10r,11s,13r)-2,3,9,10,19,20-hexahydroxy-6,16-dioxo-7,12,15,24-tetraoxapentacyclo[19.2.1.0⁵,²³.0⁸,¹³.0¹⁷,²²]tetracosa-1(23),2,4,17,19,21-hexaen-11-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate_[M+H-2H2O]+ (BioDeep_00002082190)(8r,9s,10r,11s,13r)-2,3,9,10,19,20-hexahydroxy-6,16-dioxo-7,12,15,24-tetraoxapentacyclo[19.2.1.0⁵,²³.0⁸,¹³.0¹⁷,²²]tetracosa-1(23),2,4,17,19,21-hexaen-11-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Formula: C29H22O16 (626.0907812)
SMILES:
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c4oc5c(O)c(O)cc(c5c34)C(=O)O[C@@H]2[C@@H](O)[C@H]1O
