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 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]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O[C@H]([C@H](C(=O)O)O)OCC(=O)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
zoom in