GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
Jump to section
Compound Information
ID 172
TrivialName malonylfloralginsenoside Re2
Type PPT
MF C₅₁H₈₄O₂₁
MolecularWeight 1033.212
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O[H])CC[C@@]2(C)C1[C@@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C[C@]5(C)C2C[C@@H](O[H])C6[C@@]5(C)CCC6[C@@](C)(O[C@@H]7[C@@H](OC(CC(O)=O)=O)[C@H](O)[C@@H](O)[C@H](CO)O7)CC/C=C(C)/C
Canonical SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1OC(=O)CC(=O)O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CC12C
Source PG
Functions NT
Year 2017
References

Qiu et al. (2017)

Structure malonylfloralginsenoside Re2