input word = C00055035

Metabolite InformationStructural formula
Name Batatinoside I
Formula C72H116O25
Mw 1380.78056926
CAS RN 943153-71-7
C_ID C00055035
InChIKey GBPUSRJGDAIDBE-YEMYNBOPSA-N
InChICode InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-31-37-49(73)90-59-44(7)86-69(57(81)62(59)92-51(75)40-39-47-33-28-26-29-34-47)94-61-46(9)88-72(66(93-67(83)41(4)12-3)65(61)97-68-56(80)54(78)52(76)42(5)84-68)95-60-45(8)87-70-58(82)63(60)91-50(74)38-32-25-22-19-20-23-30-36-48(35-27-14-11-2)89-71-64(96-70)55(79)53(77)43(6)85-71/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41-,42-,43+,44-,45-,46-,48-,52-,53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63-,64+,65+,66+,68-,69-,70-,71-,72-/m0/s1
SMILES O=C1O[C@]([H])([C@H]([C@@H](O2)C)O[C@H](O[C@H]3C)[C@@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)OC(CCCCCCCCCCC)=O)OC(/C=C/C5=CC=CC=C5)=O)O)O[C@@H]6O[C@H]([C@@H]([C@H]([C@H]6O)O)O)C)OC([C@@H](C)CC)=O)[C@@H](O)[C@]2([H])O[C@@]([C@H]([C@H]([C@H](O7)C)O)O)([H])[C@]7([H])O[C@@H](CCCCC)CCCCCCCCC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas var. batatas Ref.
zoom in



OrganismIpomoea batatas var. batatas
ReferenceNoda, N. et al., Phytochemistry, 1994, 36, 365-371

1998, 48, 837-841 (Stoloniferins)