input word = C00033425

Metabolite InformationStructural formula
Name Telosmoside A14
(-)-Telosmoside A14
Formula C68H114O27
Mw 1362.75474844
CAS RN 343781-73-7
C_ID C00033425 ,
InChIKey VTUMMCRSKXWOFU-DKAHXHJDNA-N
InChICode InChI=1S/C68H114O27/c1-16-31(2)63(75)87-37(8)67(76)21-22-68(77)41-18-17-39-23-40(19-20-65(39,10)42(41)24-49(66(67,68)11)88-38(9)70)89-50-25-43(71)58(32(3)82-50)91-51-26-44(78-12)59(33(4)83-51)92-52-27-45(79-13)60(34(5)84-52)93-53-28-46(80-14)61(35(6)85-53)94-54-29-47(81-15)62(36(7)86-54)95-64-57(74)56(73)55(72)48(30-69)90-64/h31-37,39-62,64,69,71-74,76-77H,16-30H2,1-15H3/t31-,32+,33+,34+,35+,36+,37-,39-,40-,41+,42-,43-,44-,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-,55+,56-,57+,58+,59+,60+,61+,62+,64-,65-,66+,67+,68-/m0/s1
SMILES CCC(C)C(=O)O[C@@H](C)[C@]1(O)CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]6C[C@H](OC)[C@H](O[C@H]7C[C@@H](OC)[C@H](O[C@H]8C[C@@H](OC)[C@H](O[C@H]9C[C@@H](OC)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](C)O9)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTelosma procumbens Ref.
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