input word = C00029634

Metabolite InformationStructural formula
Name Achyranthoside A
Formula C48H72O20
Mw 968.46169474
CAS RN 158511-54-7
C_ID C00029634 ,
InChIKey AYLUYPJVLVVYOB-UHFFFAOYNA-N
InChICode InChI=1S/C48H72O20/c1-43(2)17-22-21(23(18-43)38(58)67-39-32(54)31(53)30(52)25(19-49)63-39)11-15-46(6)24(22)9-10-27-45(5)14-13-28(44(3,4)26(45)12-16-47(27,46)7)64-40-33(55)34-35(36(65-40)37(56)57)68-48(61-8,41(59)60)42(66-34)62-20-29(50)51/h9,21-23,25-28,30-36,39-40,42,49,52-55H,10-20H2,1-8H3,(H,50,51)(H,56,57)(H,59,60)/t21-,22-,23-,25-,26+,27+,28-,30+,31+,32-,33-,34+,35+,36+,39-,40-,42-,45-,46-,47+,48+/m0/s1
SMILES COC1(C(=O)O)OC2C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CC(C(=O)OC7OC(CO)C(O)C(O)C7O)C6CCC45C)C3(C)C)C(O)C2OC1OCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes bidentata Ref.
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
zoom in