input word = C00034329

Metabolite InformationStructural formula
Name Tribestin
Formula C39H62O15S
Mw 802.38094204
CAS RN 768364-41-6
C_ID C00034329 ,
InChIKey LMLVNRYULBUGNA-ZAPQRXPANA-N
InChICode InChI=1S/C39H62O15S/c1-18-8-13-39(48-17-18)19(2)28-26(53-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)50-36-34(52-35-31(43)30(42)29(41)20(3)49-35)32(44)33(27(16-40)51-36)54-55(45,46)47/h6,18-20,22-36,40-44H,7-17H2,1-5H3,(H,45,46,47)/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OC[C@@H](CC1)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)OS(=O)(=O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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