input word = C00055076

Metabolite InformationStructural formula
Name Batatoside G
Formula C69H110O25
Mw 1338.73361907
CAS RN 1020197-18-5
C_ID C00055076
InChIKey XIEFWXUTTFITQF-KXOZMRTMSA-N
InChICode InChI=1S/C69H110O25/c1-9-11-13-14-15-16-19-22-30-36-48(72)90-64-63(94-65-54(78)52(76)50(74)39(3)81-65)59(92-66-56(80)60(58(42(6)83-66)86-44(8)70)88-49(73)38-37-45-31-26-24-27-32-45)43(7)85-69(64)91-57-41(5)84-68-62(55(57)79)89-47(71)35-29-23-20-17-18-21-28-34-46(33-25-12-10-2)87-67-61(93-68)53(77)51(75)40(4)82-67/h24,26-27,31-32,37-43,46,50-69,74-80H,9-23,25,28-30,33-36H2,1-8H3/b38-37+/t39-,40+,41-,42-,43-,46-,50-,51-,52+,53-,54+,55+,56+,57-,58-,59-,60-,61+,62+,63+,64+,65-,66-,67-,68-,69-/m0/s1
SMILES O=C1CCCCCCCCC[C@@H](O[C@]2([C@]([H])(O[C@]3([C@]([H])(O1)[C@@H]([C@H]([C@@H](O3)C)O[C@@H]4O[C@H]([C@@H]([C@H]([C@H]4OC(CCCCCCCCCCC)=O)O[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)C)O[C@@H]6O[C@H]([C@@H]([C@H]([C@H]6O)OC(/C=C/C7=CC=CC=C7)=O)OC(C)=O)C)C)O)[H])[C@H]([C@H]([C@H](O2)C)O)O)[H])CCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
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