input word = C00035760

Metabolite InformationStructural formula
Name Tenacissoside E
Formula C53H78O19
Mw 1018.51373031
CAS RN 107347-56-8
C_ID C00035760 ,
InChIKey UPJQLJGFZYGNPQ-WGHXLXBRNA-N
InChICode InChI=1S/C53H78O19/c1-10-25(2)46(60)68-43-44-50(6)19-17-31(22-30(50)16-20-52(44)53(72-52)21-18-32(26(3)55)51(53,7)45(43)71-47(61)29-14-12-11-13-15-29)66-35-23-33(62-8)40(27(4)64-35)69-49-39(59)42(63-9)41(28(5)65-49)70-48-38(58)37(57)36(56)34(24-54)67-48/h11-15,25,27-28,30-45,48-49,54,56-59H,10,16-24H2,1-9H3/t25-,27-,28-,30+,31+,32+,33-,34-,35+,36-,37+,38-,39-,40-,41-,42+,43+,44-,45-,48+,49+,50+,51+,52+,53-/m1/s1
SMILES CCC(C)C(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@]2(C)[C@H](C(C)=O)CC[C@@]23O[C@]32CC[C@H]3C[C@@H](O[C@H]4C[C@@H](OC)[C@H](O[C@@H]5O[C@H](C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](OC)[C@H]5O)[C@@H](C)O4)CC[C@]3(C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia tenacissima Ref.
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OrganismMarsdenia tenacissima
ReferenceDeng,Phytochem.,66,(2005),1040