input word = C00055029

Metabolite InformationStructural formula
Name Batatinoside V
Formula C56H98O23
Mw 1138.64988944
CAS RN 1072160-33-8
C_ID C00055029
InChIKey DNJSTYCGWNYCKP-FFIHMIDVSA-N
InChICode InChI=1S/C56H98O23/c1-8-10-12-13-15-19-24-28-36(58)75-51-50(79-53-44(66)41(63)38(60)30(4)69-53)47(77-52-43(65)40(62)37(59)29(3)68-52)33(7)72-56(51)76-46-32(6)71-55-49(45(46)67)74-35(57)27-23-20-17-14-16-18-22-26-34(25-21-11-9-2)73-54-48(78-55)42(64)39(61)31(5)70-54/h29-34,37-56,59-67H,8-28H2,1-7H3/t29-,30-,31+,32-,33-,34-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46-,47-,48+,49+,50+,51+,52-,53-,54-,55-,56-/m0/s1
SMILES O=C1CCCCCCCCC[C@H](CCCCC)O[C@@]2([H])[C@]([C@@H](O)[C@@H](O)[C@@H](C)O2)([H])O[C@@]3([H])[C@]([C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]4OC(CCCCCCCCC)=O)[C@H](C)O3)([H])O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
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