input word = C00061344

Metabolite InformationStructural formula
Name TTS-11
Formula C44H70O18
Mw 886.45621543
CAS RN 300817-17-8
C_ID C00061344
InChIKey PYXXNGZZGCXFPG-JYWVSFJHSA-N
InChICode InChI=1S/C44H70O18/c1-18-7-10-44(56-16-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(48)43(24,30)4)57-40-35(53)33(51)37(28(15-46)59-40)60-41-36(54)38(32(50)27(14-45)58-41)61-39-34(52)31(49)25(47)17-55-39/h18-28,30-41,45-47,49-54H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25-,26+,27-,28-,30+,31+,32-,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43-,44-/m1/s1
SMILES CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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