input word = C00059202

Metabolite InformationStructural formula
Name Tribufuroside B
Formula C51H84O24
Mw 1080.53525361
CAS RN 1111086-51-1
C_ID C00059202
InChIKey PXVBCNXEXPPNCN-ADSRKCQWSA-N
InChICode InChI=1S/C51H84O24/c1-19(18-67-46-42(65)38(61)34(57)29(14-52)70-46)5-8-26-20(2)33-28(68-26)12-24-22-7-6-21-11-27(25(56)13-51(21,4)23(22)9-10-50(24,33)3)69-48-44(40(63)36(59)31(16-54)72-48)75-49-45(41(64)37(60)32(17-55)73-49)74-47-43(66)39(62)35(58)30(15-53)71-47/h19,21-25,27-49,52-66H,5-18H2,1-4H3/t19-,21+,22-,23+,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+/m1/s1
SMILES CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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