input word = C00064201

Metabolite InformationStructural formula
Name Saponin B
Formula C48H76O20
Mw 972.49299487
CAS RN 2378404-06-7
C_ID C00064201
InChIKey AUAAHVSCLXLCLS-QSARYOBVSA-N
InChICode InChI=1S/C48H76O20/c1-43(41(60)62-6)13-15-48(42(61)68-40-35(58)33(56)31(54)26(19-50)65-40)16-14-46(4)22(23(48)17-43)7-8-28-44(2)11-10-29(45(3,21-51)27(44)9-12-47(28,46)5)66-38-36(59)37(24(52)20-63-38)67-39-34(57)32(55)30(53)25(18-49)64-39/h7,23-40,49-59H,8-21H2,1-6H3/t23-,24+,25+,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,43?,44-,45?,46+,47+,48-/m0/s1
SMILES COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes aspera Ref.
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