MSI_000016680
Unreliable
排名分数: 0.24
参考来源: Vitis vinifera (PO:0009086: endocarp)
M/z: 617.0879
Mass Window: 617.0879 ~ 617.0879 (none)
参考注释
[(4r,5s,7r,8s,13s,21s)-13,17,18,21-tetrahydroxy-7-(hydroxymethyl)-2,10,14-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,15-tetraoxatetracyclo[10.7.1.1⁴,⁸.0¹⁶,²⁰]henicosa-1(19),16(20),17-trien-11-yl]acetic acid_[M+H-2H2O]+ (BioDeep_00002076845)[(4r,5s,7r,8s,13s,21s)-13,17,18,21-tetrahydroxy-7-(hydroxymethyl)-2,10,14-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,15-tetraoxatetracyclo[10.7.1.1⁴,⁸.0¹⁶,²⁰]henicosa-1(19),16(20),17-trien-11-yl]acetic acid
Formula: C27H24O19 (652.0911754)
SMILES:
O=C(O)CC1C(=O)O[C@H]2[C@H](O)[C@@H](OC(=O)c3cc(O)c(O)c4c3C1[C@H](O)C(=O)O4)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@@H]2CO
