input word = C00053931

Metabolite InformationStructural formula
Name Cadabicine
Formula C25H29N3O4
Mw 435.21580644
CAS RN 99964-83-7
C_ID C00053931
InChIKey QBKGCCSZLPZTIE-INOXDZRUSA-N
InChICode InChI=1S/C25H29N3O4/c29-22-11-6-20-8-13-25(31)27-16-2-1-14-26-15-3-17-28-24(30)12-7-19-4-9-21(10-5-19)32-23(22)18-20/h4-13,18,26,29H,1-3,14-17H2,(H,27,31)(H,28,30)/b12-7+,13-8+
SMILES O=C1/C=C/c2ccc(O)c(c2)Oc2ccc(cc2)/C=C/C(=O)NCCCNCCCCN1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCadaba farinosa Ref.
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OrganismCadaba farinosa
ReferenceAhmad, V.U. et al., Phytochemistry, 1985, 24, 2709

1989, 28, 2493 (isol, uv, ir, pmr, cmr, ms, cryst struct)