input word = C00032271

Metabolite InformationStructural formula
Name Taccasteroside B
(-)-Taccasteroside B
Formula C64H106O33
Mw 1402.66163592
CAS RN 839678-64-7
C_ID C00032271 ,
InChIKey HUWFAHDWVXUYMW-KMGLMVDLNA-N
InChICode InChI=1S/C64H106O33/c1-23(6-7-24(2)29-10-11-30-28-9-8-26-16-27(12-14-63(26,4)31(28)13-15-64(29,30)5)87-58-48(80)42(74)38(70)32(17-65)88-58)25(3)56(85)97-62-55(96-61-52(84)47(79)54(36(21-69)92-61)95-60-50(82)44(76)40(72)34(19-67)90-60)45(77)41(73)37(93-62)22-86-57-51(83)46(78)53(35(20-68)91-57)94-59-49(81)43(75)39(71)33(18-66)89-59/h8,23-25,27-55,57-62,65-84H,6-7,9-22H2,1-5H3/t23-,24-,25+,27+,28+,29-,30+,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55-,57-,58-,59+,60+,61+,62+,63+,64-/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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)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.
zoom in



OrganismTacca chantrieri
ReferenceYokosuka,Chem.Pharm.Bull.,52,(2004),1396