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 CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)/C=C/c2ccccc2)[C@@H](O)[C@H](O[C@@H]2[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](OC(=O)[C@@H](C)CC)[C@H](O[C@@H]3[C@H]4OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@H](O[C@H]3C)[C@@H]4O)O[C@H]2C)O[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas var. batatas Ref.
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OrganismIpomoea batatas var. batatas
ReferenceNoda, N. et al., Phytochemistry, 1994, 36, 365-371

1998, 48, 837-841 (Stoloniferins)