input word = C00046567

Metabolite InformationStructural formula
Name 1-Deoxychiisanoside
Formula C48H74O18
Mw 938.48751556
CAS RN 313944-74-0
C_ID C00046567 ,
InChIKey KUBGLANNNUUPQL-IZASSXNANA-N
InChICode InChI=1S/C48H74O18/c1-20(2)23-9-14-48(16-15-46(7)25(30(23)48)17-26-40-45(6,12-11-29(50)62-26)24(21(3)4)10-13-47(40,46)8)44(59)66-43-37(57)34(54)32(52)28(64-43)19-60-41-38(58)35(55)39(27(18-49)63-41)65-42-36(56)33(53)31(51)22(5)61-42/h22-28,30-43,49,51-58H,1,3,9-19H2,2,4-8H3/t22-,23-,24-,25+,26+,27+,28+,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,45-,46+,47+,48-/m0/s1
SMILES [C@@]12([C@@H](CC[C@@]3([C@@H]1[C@@H](C[C@H]1[C@]3(CC[C@@]3([C@H]1[C@H](C(=C)C)CC3)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)C)OC(=O)CC2)C)C(=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax senticosus forma inermis Ref.
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