GinDB-AI: An integrated ginsenoside database and AI-driven platform for multidimensional information and biological activity prediction
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Compound Information
ID 153
TrivialName Notoginsenoside U
Type PPT
MF C₄₂H₇₂O₁₄
MolecularWeight 801.024
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[H])C[C@]3(C)C2C[C@@H](O)C4[C@@]3(C)CCC4[C@@](C)(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]6[C@@H](O)[C@H](O)[C@@H](O)[C@H](CO)O6)O5)CC/C=C(C)/C
Canonical SMILES CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
Source PN
Functions NT
Year 2005
References

Sun et al. (2005)

Structure Notoginsenoside U