input word = C00044382

Metabolite InformationStructural formula
Name Wahlenoside A
(-)-Wahlenoside A
Formula C22H30O13
Mw 502.16864105
CAS RN 213008-37-8
C_ID C00044382 ,
InChIKey MFEWOKRTEWMMJA-GGFLBADANA-N
InChICode InChI=1S/C22H30O13/c1-22(31,8-15(25)26)9-16(27)33-5-3-4-11-6-12(24)20(13(7-11)32-2)35-21-19(30)18(29)17(28)14(10-23)34-21/h3-4,6-7,14,17-19,21,23-24,28-31H,5,8-10H2,1-2H3,(H,25,26)/b4-3+/t14-,17-,18+,19-,21+,22+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)Oc1c(O)cc(cc1OC)/C=C/COC(=O)C[C@](CC(=O)O)(O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaeWahlenbergia marginata Ref.
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