input word = C00042236

Metabolite InformationStructural formula
Name Arabidopside C
(+)-Arabidopside C
Formula C49H76O17
Mw 936.508251
CAS RN 852369-54-1
C_ID C00042236 ,
InChIKey GXTGTCSHGJLVPW-SIMHLUFANA-N
InChICode InChI=1S/C49H76O17/c1-3-5-11-19-34-31(23-25-36(34)51)17-13-8-7-9-15-21-40(53)61-28-33(64-41(54)22-16-10-14-18-32-24-26-37(52)35(32)20-12-6-4-2)29-62-48-47(60)45(58)43(56)39(66-48)30-63-49-46(59)44(57)42(55)38(27-50)65-49/h5-6,11-12,23-26,31-35,38-39,42-50,55-60H,3-4,7-10,13-22,27-30H2,1-2H3/b11-5-,12-6-/t31-,32-,33+,34+,35+,38+,39+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1
SMILES [C@@H]1(OC[C@H](OC(=O)CCCCC[C@H]2C=CC(=O)[C@@H]2C/C=C\CC)COC(=O)CCCCCCC[C@H]2C=CC(=O)[C@@H]2C/C=C\CC)O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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