input word = C00032933

Metabolite InformationStructural formula
Name Elatoside A
Tarasaponin II
Formula C47H74O18
Mw 926.48751556
CAS RN 155836-04-7
C_ID C00032933 ,
InChIKey DPXMETKXNWBGRI-FSFKOPSINA-N
InChICode InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-38-31(53)28(50)23(49)20-60-38)34(33(55)35(64-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36+,38-,39-,40+,44-,45+,46+,47-/m0/s1
SMILES [C@@H]12[C@@]([C@@H]3[C@@](CC2)([C@]2(C(=CC3)[C@H]3[C@](CC2)(C(=O)O)CCC(C3)(C)C)C)C)(CC[C@H](C1(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
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