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 COc1cc2cc(-c3cc(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3)oc2cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeSchoenocaulon officinale Ref.
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