input word = C00029641

Metabolite InformationStructural formula
Name Achyranthoside H
Formula C51H80O20
Mw 1012.524295
CAS RN 846589-80-8
C_ID C00029641 ,
InChIKey AWKPDPDRZPTHCH-BPXQLYGNNA-N
InChICode InChI=1S/C51H80O20/c1-46(2)18-20-51(45(61)71-42-34(56)33(55)32(54)27(23-52)67-42)21-19-49(6)25(26(51)22-46)12-13-29-48(5)16-15-30(47(3,4)28(48)14-17-50(29,49)7)68-43-36(58)37(35(57)38(70-43)40(59)64-10)69-44(66-24-31(53)62-8)39(63-9)41(60)65-11/h12,26-30,32-39,42-44,52,54-58H,13-24H2,1-11H3/t26-,27+,28-,29+,30-,32-,33-,34+,35-,36+,37-,38-,39-,42-,43+,44-,48-,49+,50+,51-/m0/s1
SMILES COC(=O)COC(O[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](C(=O)OC)[C@H]1O)C(OC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
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