GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 137
TrivialName Ginsenoside Re1
Type PPT
MF C₄₈H₈₂O₁₉
MolecularWeight 963.165
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](O)[C@H](O)[C@@H](CO)O3)C[C@]4(C)C2C[C@@H](O)C5[C@@]4(C)CCC5[C@@](C)(O[C@H]6[C@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@H](O)[C@@H](CO)O6)CC/C=C(C)/C
Canonical SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C
Source PG
Functions NT
Year 2011
References

Zhu et al. (2011a)

Structure Ginsenoside Re1