input word = C00055079

Metabolite InformationStructural formula
Name Batatinoside III
Formula C52H92O19
Mw 1020.62328076
CAS RN 1072160-31-6
C_ID C00055079
InChIKey HWBZRIWQHAFKRC-UDGDBMLSSA-N
InChICode InChI=1S/C52H92O19/c1-7-9-11-12-13-14-17-20-24-28-35(53)67-44-31(4)63-49(41(59)39(44)57)69-45-32(5)64-50(42(60)40(45)58)70-46-33(6)65-51-43(61)47(46)68-36(54)29-25-21-18-15-16-19-23-27-34(26-22-10-8-2)66-52-48(71-51)38(56)37(55)30(3)62-52/h30-34,37-52,55-61H,7-29H2,1-6H3/t30-,31+,32+,33+,34+,37+,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,48-,49-,50+,51+,52+/m1/s1
SMILES O=C1O[C@]2([H])[C@H]([C@@H](O[C@@](O[C@@]3([C@H]([C@H]([C@H](O[C@@]3([H])O[C@@H](CCCCC)CCCCCCCCC1)C)O)O)[H])([C@@H]2O)[H])C)O[C@H](O[C@H]4C)[C@@H]([C@@H]([C@H]4O[C@@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC(CCCCCCCCCCC)=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
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