input word = C00054946

Metabolite InformationStructural formula
Name Chinenoside I
Formula C49H80O23
Mw 1036.50903886
CAS RN 123941-66-2
C_ID C00054946
InChIKey JLPOKVNPMNEDMF-UHFFFAOYSA-N
InChICode InChI=1S/C49H80O23/c1-19(15-64-44-40(61)36(57)35(56)30(14-50)69-44)5-10-49(63)20(2)32-29(72-49)13-24-22-12-26(51)25-11-21(6-8-47(25,3)23(22)7-9-48(24,32)4)68-46-41(62)37(58)42(71-45-39(60)34(55)28(53)17-66-45)31(70-46)18-67-43-38(59)33(54)27(52)16-65-43/h19-25,27-46,50,52-63H,5-18H2,1-4H3
SMILES CC(CCC1(O)OC2CC3C4CC(=O)C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium chinense Ref.
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