input word = C00029746

Metabolite InformationStructural formula
Name Asparoside A
Curilloside G
Formula C52H88O23
Mw 1080.57163912
CAS RN 84633-35-2
C_ID C00029746 ,
InChIKey FXSPQKQLIBUPIL-GRIUCZEGNA-N
InChICode InChI=1S/C52H88O23/c1-21(20-67-46-40(62)38(60)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-48-42(64)39(61)36(58)31(18-54)71-48)43(65)44(32(19-55)72-49)73-47-41(63)37(59)34(56)23(3)68-47/h21-49,53-65H,7-20H2,1-6H3/t21-,22-,23-,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+/m0/s1
SMILES CO[C@]1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax aspera subsp.mauritanica (POIR.) ARCANG. Ref.
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