input word = C00029314

Metabolite InformationStructural formula
Name (25S)-Kingianoside E
Formula C51H82O25
Mw 1094.51451817
CAS RN 913170-01-1
C_ID C00029314 ,
InChIKey UOYJKVXIKOXLKU-NTRZYBRLNA-N
InChICode InChI=1S/C51H82O25/c1-19(18-68-45-40(64)36(60)33(57)27(14-52)70-45)7-10-51(67)20(2)32-26(76-51)12-25-23-6-5-21-11-22(8-9-49(21,3)24(23)13-31(56)50(25,32)4)69-46-42(66)39(63)43(30(17-55)73-46)74-48-44(38(62)35(59)29(16-54)72-48)75-47-41(65)37(61)34(58)28(15-53)71-47/h5,19-20,22-30,32-48,52-55,57-67H,6-18H2,1-4H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29+,30+,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43-,44+,45+,46+,47-,48-,49-,50+,51+/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC(=O)[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@](O2)(O)CC[C@@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaePolygonatum kingianum COLL.et HEMSL. Ref.
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