input word = C00064627

Metabolite InformationStructural formula
Name Bistortaside A
Formula C22H24O14
Mw 512.11660548
CAS RN 935290-75-8
C_ID C00064627
InChIKey BRYYTENRCOKKDR-ZEENSLDLSA-N
InChICode InChI=1S/C22H24O14/c1-32-12-6-9(4-10(23)15(12)25)21(31)34-7-14-16(26)17(27)18(28)22(35-14)36-19-11(24)3-8(20(29)30)5-13(19)33-2/h3-6,14,16-18,22-28H,7H2,1-2H3,(H,29,30)/t14-,16-,17+,18-,22+/m1/s1
SMILES COc1cc(C(=O)OCC2OC(Oc3c(O)cc(C(=O)O)cc3OC)C(O)C(O)C2O)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum bistorta Ref.
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