input word = C00002595

Metabolite InformationStructural formula
Name 4'-Demethylpodophyllotoxin
4-Demethyl-podophyllotoxin
Formula C21H20O8
Mw 400.11581762
CAS RN 40505-27-9
C_ID C00002595 ,
InChIKey YVCVYCSAAZQOJI-IFZIJWNBNA-N
InChICode InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19-/m0/s1
SMILES c12c(cc3c(c1)OCO3)[C@@H]([C@@H]1[C@@H]([C@@H]2c2cc(c(c(c2)OC)O)OC)C(=O)OC1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea holosericea Ref.
PlantaeBerberidaceaeDiphylleia sinensis Ref.
PlantaeBerberidaceaeDysosma difformis Ref.
PlantaeBerberidaceaeDysosma furfuracea Ref.
PlantaeBerberidaceaeDysosma guangxiensis Ref.
PlantaeBerberidaceaeDysosma majorensis Ref.
PlantaeBerberidaceaeDysosma pleiantha Ref.
PlantaeBerberidaceaeDysosma veitchii Ref.
PlantaeBerberidaceaeDysosma versipellis Ref.
PlantaeBerberidaceaePodophyllum emodii Ref.
PlantaeBerberidaceaePodophyllum hexandrum Ref.
PlantaeBerberidaceaePodophyllum peltatum Ref.
PlantaeBerberidaceaeSinopodophyllum hexandrum Ref.
PlantaeLabiataeHyptis verticillata Ref.
PlantaeLinaceaeLinum album Ref.
PlantaePolygalaceaePolygala polygama Ref.
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