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 CC1(C)CC(C(=O)OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC7C6O)C(C)(C)C5CCC43C)C2C1
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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OrganismAchyranthes bidentata
ReferenceSingh, B and Sharma, R. A., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.