input word = C00046225

Metabolite InformationStructural formula
Name O-Demethyl-buchenavianine
Formula C21H21NO4
Mw 351.14705817
CAS RN 91147-18-1
C_ID C00046225 ,
InChIKey BBZGOLNDVQZCIH-UHFFFAOYNA-N
InChICode InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3/t14-/m1/s1
SMILES c1(cc(c2c(c1[C@H]1CCCCN1C)oc(cc2=O)c1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeBuchenavia capitata Ref.
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OrganismBuchenavia capitata
ReferenceStringner,J.Nat.Prod.,64,(2001),265