input word = C00058131

Metabolite InformationStructural formula
Name Sitoindoside II
Formula C53H92O7
Mw 840.68430529
CAS RN 53657-29-7
C_ID C00058131
InChIKey MEEONOMPSMYAQO-JXJRCNQOSA-N
InChICode InChI=1S/C53H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h16-17,27,37-39,41-46,48-51,55-57H,8-15,18-26,28-36H2,1-7H3/b17-16-/t38-,39+,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1
SMILES CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]5(C)CC[C@@H]43)C2)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMusaceaeMusa paradisiaca Ref.
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