input word = C00001818

Metabolite InformationStructural formula
Name Berberastine
Formula C20H18NO5
Mw 352.11849769
CAS RN 2435-73-6
C_ID C00001818 ,
InChIKey VFCGRXCCUHLLIP-UHFFFAOYNA-N
InChICode InChI=1S/C20H18NO5/c1-23-17-4-3-11-5-15-12-6-18-19(26-10-25-18)7-13(12)16(22)9-21(15)8-14(11)20(17)24-2/h3-8,16,22H,9-10H2,1-2H3/q+1/t16-/m0/s1
SMILES c12c(cc3c(c1)[C@H](C[n+]1c3cc3c(c1)c(c(cc3)OC)OC)O)OCO2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeBerberis laurina Ref.
PlantaeRanunculaceaeCoptis japonica Ref.
PlantaeRanunculaceaeXanthorhiza simplicissima Ref.
PlantaeRanunculaceae/HydrastidaceaeHydrastis canadensis Ref.
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