input word = C00029637

Metabolite InformationStructural formula
Name Achyranthoside D
Formula C53H82O25
Mw 1118.51451817
CAS RN 168009-91-4
C_ID C00029637 ,
InChIKey VYVPIFXAYNIMKK-UHFFFAOYNA-N
InChICode InChI=1S/C53H82O25/c1-48(2)14-16-53(47(70)78-45-35(63)33(61)31(59)25(20-55)73-45)17-15-51(6)22(23(53)18-48)8-9-27-50(5)12-11-28(49(3,4)26(50)10-13-52(27,51)7)74-46-40(77-44-34(62)32(60)30(58)24(19-54)72-44)38(36(64)39(76-46)42(68)69)75-43(37(65)41(66)67)71-21-29(56)57/h8,23-28,30-40,43-46,54-55,58-65H,9-21H2,1-7H3,(H,56,57)(H,66,67)(H,68,69)/t23-,24-,25+,26-,27-,28-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39+,40-,43+,44-,45-,46+,50-,51+,52+,53-/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@H]1[C@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
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OrganismAchyranthes fauriei
ReferenceAndo,J.Nat.Med.,62,(2008),57