input word = C00019245

Metabolite InformationStructural formula
Name Schoenoside
Formula C21H22O10
Mw 434.12129692
CAS RN 461433-85-2
C_ID C00019245 ,
InChIKey RPWGPITYYOQXEV-MHDJWYLPNA-N
InChICode InChI=1S/C21H22O10/c1-28-16-5-10-4-14(30-15(10)7-13(16)24)9-2-11(23)6-12(3-9)29-21-20(27)19(26)18(25)17(8-22)31-21/h2-7,17-27H,8H2,1H3/t17-,18-,19+,20-,21-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)Oc1cc(c2cc3cc(c(cc3o2)O)OC)cc(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeSchoenocaulon officinale Ref.
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