input word = C00029635

Metabolite InformationStructural formula
Name Achyranthoside B
Betavulgaroside I
Formula C47H70O20
Mw 954.44604468
CAS RN 158511-55-8
C_ID C00029635 ,
InChIKey KCSRHJDPAUBDLA-UHFFFAOYNA-N
InChICode InChI=1S/C47H70O20/c1-42(2)16-21-20(22(17-42)37(57)66-38-31(53)30(52)29(51)24(18-48)62-38)10-14-45(6)23(21)8-9-26-44(5)13-12-27(43(3,4)25(44)11-15-46(26,45)7)63-39-32(54)33-34(35(64-39)36(55)56)67-47(60,40(58)59)41(65-33)61-19-28(49)50/h8,20-22,24-27,29-35,38-39,41,48,51-54,60H,9-19H2,1-7H3,(H,49,50)(H,55,56)(H,58,59)/t20-,21-,22+,24+,25-,26-,27-,29-,30-,31-,32-,33+,34+,35-,38-,39-,41+,44+,45+,46-,47+/m1/s1
SMILES C1(C[C@@H]([C@H]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]1O[C@H]([C@@H]2[C@H]([C@H]1O)O[C@@H]([C@](O2)(O)C(=O)O)OCC(=O)O)C(=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 bidentata Ref.
PlantaeAmaranthaceaeAchyranthes fauriei Ref.
PlantaeBasellaceaeBasella rubra L. Ref.
PlantaeCaryophyllalesBeta vulgaris Ref.
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OrganismBasella rubra L.
ReferenceMurakami,Chem.Pharm.Bull.,49,(2001),776