input word = C00061380

Metabolite InformationStructural formula
Name Tribulosaponin B
Formula C51H84O22
Mw 1048.54542437
CAS RN 311310-52-8
C_ID C00061380
InChIKey VASXPBMMRNFFNP-LXPGNASGSA-N
InChICode InChI=1S/C51H84O22/c1-20(19-65-46-40(61)38(59)35(56)30(16-52)69-46)6-9-28-21(2)33-29(68-28)15-27-25-8-7-23-14-24(10-12-50(23,4)26(25)11-13-51(27,33)5)67-49-45(73-47-41(62)37(58)34(55)22(3)66-47)43(64)44(32(18-54)71-49)72-48-42(63)39(60)36(57)31(17-53)70-48/h20,22-27,29-49,52-64H,6-19H2,1-5H3/t20-,22-,23+,24-,25+,26-,27-,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-,45+,46+,47-,48-,49+,50-,51-/m0/s1
SMILES CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
zoom in