input word = C00060609

Metabolite InformationStructural formula
Name Terrestrosin I
Formula C51H84O25
Mw 1096.53016824
CAS RN 193604-75-0
C_ID C00060609
InChIKey QGVYIJKLOANVLR-SYQMYKISSA-N
InChICode InChI=1S/C51H84O25/c1-19(18-68-45-40(64)36(60)33(57)27(14-52)70-45)7-10-51(67)20(2)32-26(76-51)12-25-23-6-5-21-11-22(8-9-49(21,3)24(23)13-31(56)50(25,32)4)69-46-42(66)39(63)43(30(17-55)73-46)74-48-44(38(62)35(59)29(16-54)72-48)75-47-41(65)37(61)34(58)28(15-53)71-47/h19-30,32-48,52-55,57-67H,5-18H2,1-4H3/t19?,20-,21-,22-,23+,24-,25-,26-,27+,28+,29+,30+,32-,33+,34-,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45+,46+,47-,48-,49-,50+,51+/m0/s1
SMILES CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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