input word = C00027823

Metabolite InformationStructural formula
Name Ailanthoidine
Formula C29H25N3O4
Mw 479.18450631
CAS RN 86003-22-7
C_ID C00027823 ,
InChIKey OIRFYVWUJLJIKS-FVMJWEKJNA-N
InChICode InChI=1S/C29H25N3O4/c1-16(22-11-17(14-30)9-10-31-22)27-26-19(7-8-23(33-3)29(26)34-4)20-6-5-18-12-24-25(36-15-35-24)13-21(18)28(20)32(27)2/h5-13,16,27H,15H2,1-4H3/t16-,27-/m1/s1
SMILES c12c(cc3c(c1)c1c(cc3)c3c([C@H](N1C)[C@@H](c1nccc(c1)C
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Phe
Organism
Kingdom Family Species Reference
PlantaeRutaceaeXanthoxylum ailanthoides Ref.
PlantaeRutaceaeZanthoxylum ailanthoides Ref.
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