input word = C00024127

Metabolite InformationStructural formula
Name Abrussaponin II
Formula C48H76O19
Mw 956.49808025
CAS RN 211568-33-1
C_ID C00024127 ,
InChIKey CRFOYURDKVNYOP-TVJWINCRNA-N
InChICode InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-39-34(57)30(53)28(51)23(19-49)62-39)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(32(55)29(52)24(20-50)63-41)66-40-35(58)31(54)33(56)36(65-40)38(59)60/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40-,41-,45-,46+,47+,48-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(=O)O)CO)C)C)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAbrus precatorius L. Ref.
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