input word = C00032272

Metabolite InformationStructural formula
Name Taccasteroside C
(-)-Taccasteroside C
Formula C58H96O28
Mw 1240.60881249
CAS RN 839678-65-8
C_ID C00032272 ,
InChIKey PZFQDFBDZAVRFU-YHXKUFRANA-N
InChICode InChI=1S/C58H96O28/c1-22(6-7-23(2)28-10-11-29-27-9-8-25-16-26(12-14-57(25,4)30(27)13-15-58(28,29)5)78-53-45(72)40(67)36(63)31(17-59)79-53)24(3)51(76)86-56-50(85-55-47(74)42(69)38(65)33(19-61)81-55)43(70)39(66)35(83-56)21-77-52-48(75)44(71)49(34(20-62)82-52)84-54-46(73)41(68)37(64)32(18-60)80-54/h8,22-24,26-50,52-56,59-75H,6-7,9-21H2,1-5H3/t22-,23-,24+,26+,27+,28-,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,52-,53-,54+,55+,56+,57+,58-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1[C@@H](CC[C@@H](C)[C@H](C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaccaceaeTacca chantrieri Ref.
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OrganismTacca chantrieri
ReferenceYokosuka,Chem.Pharm.Bull.,52,(2004),1396