input word = C00061771

Metabolite InformationStructural formula
Name Methylprototribestin
Formula C46H76O21S1-
Mw 996.45998022
CAS RN 425394-81-6
C_ID C00061771
InChIKey CBXTXJDUNMTDBR-ONXKNNPNSA-N
InChICode InChI=1S/C46H76O21S.Na/c1-20(19-60-41-36(53)35(52)33(50)29(17-47)63-41)9-14-46(59-6)21(2)31-28(66-46)16-27-25-8-7-23-15-24(10-12-44(23,4)26(25)11-13-45(27,31)5)62-43-40(65-42-37(54)34(51)32(49)22(3)61-42)38(55)39(30(18-48)64-43)67-68(56,57)58;/h7,20-22,24-43,47-55H,8-19H2,1-6H3,(H,56,57,58);/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36-,37-,38+,39-,40-,41-,42+,43-,44+,45+,46-;/m1./s1
SMILES COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OS(=O)(=O)O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C.[Na]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
zoom in