input word = C00055078

Metabolite InformationStructural formula
Name Batatinoside II
Formula C50H88O19
Mw 992.59198063
CAS RN 1072160-30-5
C_ID C00055078
InChIKey QWTSJSXUDRGIMY-ZOAYFPPGSA-N
InChICode InChI=1S/C50H88O19/c1-7-9-11-12-14-18-22-26-33(51)65-44-40(58)48(62-30(5)42(44)67-47-39(57)37(55)35(53)28(3)60-47)68-43-31(6)63-49-41(59)45(43)66-34(52)27-23-19-16-13-15-17-21-25-32(24-20-10-8-2)64-50-46(69-49)38(56)36(54)29(4)61-50/h28-32,35-50,53-59H,7-27H2,1-6H3/t28-,29+,30-,31-,32-,35-,36-,37+,38-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48-,49-,50-/m0/s1
SMILES CCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@H]3OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O[C@H](O[C@H]2C)[C@@H]3O)O[C@@H](C)[C@@H]1O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
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