input word = C00045124

Metabolite InformationStructural formula
Name Triquetroside C1
(-)-Triquetroside C1
Formula C45H74O19
Mw 918.48243018
CAS RN 628728-01-8
C_ID C00045124 ,
InChIKey ZDBILSSUSGXFLX-IVPCIAQTNA-N
InChICode InChI=1S/C45H74O19/c1-18(17-58-42-39(36(54)33(51)28(16-47)62-42)63-40-37(55)34(52)31(49)20(3)59-40)8-11-45(57)19(2)30-26(64-45)14-25-23-7-6-21-12-22(60-41-38(56)35(53)32(50)27(15-46)61-41)13-29(48)44(21,5)24(23)9-10-43(25,30)4/h6,18-20,22-42,46-57H,7-17H2,1-5H3/t18-,19+,20+,22-,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43+,44+,45-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1C[C@H]([C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]3[C@@H]2[C@@H]([C@](O3)(CC[C@H](CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O[C@@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)C)O)O)CO)C)O)C)C)C1)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium triquetrum Ref.
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