input word = C00037385

Metabolite InformationStructural formula
Name Khekadaengoside N
Formula C48H80O18
Mw 944.53446575
CAS RN 415711-14-7
C_ID C00037385 ,
InChIKey OSJOLYOKIKNBHA-ZAWYNRBJNA-N
InChICode InChI=1S/C48H80O18/c1-21(10-14-29(51)45(5,6)66-43-40(37(58)34(55)27(20-50)63-43)65-41-38(59)35(56)32(53)22(2)61-41)23-16-17-46(7)28-13-11-24-25(48(28,9)30(52)18-47(23,46)8)12-15-31(44(24,3)4)64-42-39(60)36(57)33(54)26(19-49)62-42/h11,21-23,25-29,31-43,49-51,53-60H,10,12-20H2,1-9H3/t21-,22+,23-,25-,26-,27-,28+,29-,31+,32+,33-,34-,35-,36+,37+,38-,39-,40-,41+,42+,43+,46+,47-,48+/m1/s1
SMILES C[C@H](CC[C@@H](O)C(C)(C)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeTrichosanthes tricuspidata Ref.
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