input word = C00000694

Metabolite InformationStructural formula
Name 4'-O-Demethyldehydropodophyllotoxin
Formula C21H16O8
Mw 396.08451749
CAS RN 117669-31-5
C_ID C00000694 ,
InChIKey OEQUUHXKRMMSOQ-UHFFFAOYSA-N
InChICode InChI=1S/C21H16O8/c1-25-15-3-9(4-16(26-2)20(15)24)17-10-5-13-14(29-8-28-13)6-11(10)19(23)21-18(17)12(22)7-27-21/h3-6,23-24H,7-8H2,1-2H3
SMILES COc1cc(-c2c3c(c(O)c4cc5c(cc24)OCO5)OCC3=O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaePodophyllum hexandrum Ref.
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