input word = C00029640

Metabolite InformationStructural formula
Name Achyranthoside G
Formula C47H72O20
Mw 956.46169474
CAS RN 167899-47-0
C_ID C00029640 ,
InChIKey PPCAKIXUPHBIEC-UHFFFAOYNA-N
InChICode InChI=1S/C47H72O20/c1-42(2)14-16-47(41(60)61)17-15-45(6)21(22(47)18-42)8-9-25-44(5)12-11-26(43(3,4)24(44)10-13-46(25,45)7)64-40-35(67-39-30(53)29(52)28(51)23(19-48)63-39)33(31(54)34(66-40)37(58)59)65-38(32(55)36(56)57)62-20-27(49)50/h8,22-26,28-35,38-40,48,51-55H,9-20H2,1-7H3,(H,49,50)(H,56,57)(H,58,59)(H,60,61)/t22-,23-,24-,25+,26+,28-,29-,30+,31-,32-,33-,34-,35+,38+,39+,40+,44+,45-,46-,47-/m0/s1
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC(OCC(=O)O)C(O)C(=O)O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
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