input word = C00052749

Metabolite InformationStructural formula
Name 6,7-Demethylenedeoxypodophyllotoxin
Formula C21H22O7
Mw 386.13655306
CAS RN 1173-42-8
C_ID C00052749
InChIKey RINWQCSDWSZGDJ-RQUSPXKASA-N
InChICode InChI=1S/C21H22O7/c1-25-16-6-11(7-17(26-2)20(16)27-3)18-13-8-15(23)14(22)5-10(13)4-12-9-28-21(24)19(12)18/h5-8,12,18-19,22-23H,4,9H2,1-3H3/t12-,18+,19-/m0/s1
SMILES COc1cc([C@@H]2c3cc(O)c(O)cc3C[C@H]3COC(=O)[C@@H]32)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHernandiaceaeHernandia ovigera Ref.
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OrganismHernandia ovigera
ReferenceSaleem, M. S. et al., Nat. Prod. Rep., 22, (2005), 696-716.