input word = C00061345

Metabolite InformationStructural formula
Name TTS-13
Formula C62H104O31
Mw 1344.65615661
CAS RN 300817-18-9
C_ID C00061345
InChIKey YHVNCBGBSMUHPF-MEWGORODSA-N
InChICode InChI=1S/C62H104O31/c1-23(20-81-54-48(78)45(75)41(71)34(17-63)86-54)9-14-62(80-6)24(2)37-33(93-62)16-30-28-8-7-26-15-27(10-12-60(26,4)29(28)11-13-61(30,37)5)85-58-52(92-57-49(79)44(74)38(68)25(3)84-57)51(43(73)35(18-64)87-58)90-59-53(91-56-47(77)40(70)32(67)22-83-56)50(42(72)36(19-65)88-59)89-55-46(76)39(69)31(66)21-82-55/h23-59,63-79H,7-22H2,1-6H3/t23-,24+,25+,26+,27+,28+,29+,30+,31-,32-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46-,47-,48-,49-,50+,51+,52-,53-,54-,55+,56+,57+,58-,59+,60+,61+,62-/m1/s1
SMILES COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)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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OrganismTribulus terrestris
Referencehttps://doi.org/10.1007/BF02491733

https://doi.org/10.1016/j.jep.2005.07.006

https://doi.org/10.1055/s-2000-8609

https://doi.org/10.1248/bpb.28.2211