GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 734
TrivialName Saponin I
Type PPD
MF C₄₇H₈₀O₁₇
MolecularWeight 917.14
IUPACName NT
m/z NT
Retention Time NT
CCS NT
Adducts NT
Isomeric SMILES CC1(C)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC[C@@]3(C)C1CC[C@]4(C)C3C[C@@H](O)C5[C@@]4(C)CCC5[C@](CC/C=C(C)/C)(O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)CO7)[C@@H](O)[C@H](O)[C@@H](CO)O6)C
Canonical SMILES CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C
Source PN
Functions NT
Year 1999
References

Ma et al. (1999)

Structure Saponin I