input word = C00033428

Metabolite InformationStructural formula
Name Telosmoside A17
(+)-Telosmoside A17
Formula C68H114O28
Mw 1378.74966306
CAS RN 343781-76-0
C_ID C00033428 ,
InChIKey LUOVJXXXAOACJP-OVLGTQSKNA-N
InChICode InChI=1S/C68H114O28/c1-16-30(2)62(76)88-36(8)67(77)21-22-68(78)40-18-17-38-23-39(19-20-65(38,10)41(40)24-47(66(67,68)11)89-37(9)70)90-48-25-42(71)56(31(3)83-48)92-49-26-43(79-12)57(32(4)84-49)93-50-27-44(80-13)58(33(5)85-50)94-51-28-45(81-14)59(34(6)86-51)95-64-55(75)61(82-15)60(35(7)87-64)96-63-54(74)53(73)52(72)46(29-69)91-63/h30-36,38-61,63-64,69,71-75,77-78H,16-29H2,1-15H3/t30-,31+,32+,33+,34+,35+,36-,38-,39-,40+,41-,42-,43-,44+,45+,46+,47+,48+,49-,50-,51-,52+,53-,54+,55+,56+,57+,58+,59+,60+,61-,63-,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]9O[C@H](C)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](OC)[C@H]9O)[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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