input word = C00055036

Metabolite InformationStructural formula
Name Batatinoside IV
Formula C63H110O24
Mw 1250.73870444
CAS RN 1072160-32-7
C_ID C00055036
InChIKey JYVBMECJRVIYTM-MYRFBPFFSA-N
InChICode InChI=1S/C63H110O24/c1-10-13-15-16-17-18-21-24-28-32-41(64)81-51-37(7)77-60(49(72)47(51)70)84-53-39(9)79-63(57(83-58(74)34(4)12-3)56(53)87-59-48(71)45(68)43(66)35(5)75-59)85-52-38(8)78-61-50(73)54(52)82-42(65)33-29-25-22-19-20-23-27-31-40(30-26-14-11-2)80-62-55(86-61)46(69)44(67)36(6)76-62/h34-40,43-57,59-63,66-73H,10-33H2,1-9H3/t34-,35-,36+,37-,38-,39-,40-,43-,44-,45+,46-,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57+,59-,60-,61-,62-,63-/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)O)O)O[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)C)OC([C@@H](C)CC)=O)[C@@H](O)[C@]2([H])O[C@@]([C@H]([C@H]([C@H](O6)C)O)O)([H])[C@]6([H])O[C@@H](CCCCC)CCCCCCCCC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
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