input word = C00062940

Metabolite InformationStructural formula
Name Tribol
Formula C45H74O17
Mw 886.49260094
CAS RN 768378-57-0
C_ID C00062940
InChIKey JTCWXISSLCZBQV-UHFKVXLXSA-N
InChICode InChI=1S/C45H74O17/c1-19(17-46)7-10-28-20(2)39-44(6)14-12-26-25(27(44)16-45(39,55)62-28)9-8-23-15-24(11-13-43(23,26)5)58-42-38(61-41-35(53)33(51)31(49)22(4)57-41)36(54)37(29(18-47)59-42)60-40-34(52)32(50)30(48)21(3)56-40/h8,19-22,24-42,46-55H,7,9-18H2,1-6H3/t19-,20-,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+/m1/s1
SMILES CC(CO)CCC1OC2(O)CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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