input word = C00029636

Metabolite InformationStructural formula
Name Achyranthoside C
Formula C47H72O20
Mw 956.46169474
CAS RN 168009-90-3
C_ID C00029636 ,
InChIKey GNCYMXULNXKROG-UHFFFAOYNA-N
InChICode InChI=1S/C47H72O20/c1-42(2)14-16-47(41(61)67-39-30(53)29(52)28(51)23(19-48)63-39)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)64-40-32(55)34(31(54)35(66-40)37(59)60)65-38(33(56)36(57)58)62-20-27(49)50/h8,22-26,28-35,38-40,48,51-56H,9-20H2,1-7H3,(H,49,50)(H,57,58)(H,59,60)/t22-,23-,24+,25-,26+,28-,29-,30-,31-,32+,33+,34+,35+,38-,39+,40-,44-,45-,46+,47-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@@](C1)([C@@H]1[C@](CC2)([C@]2(C(=CC1)[C@@H]1[C@](CC2)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O[C@H]1[C@H]([C@H]([C@H]([C@@H](C(=O)O)O1)O)O[C@H]([C@@H](O)C(=O)O)OCC(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
PlantaeCaryophyllalesBeta vulgaris Ref.
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