input word = C00045650

Metabolite InformationStructural formula
Name Aquiledine
Formula C20H20N2O5
Mw 368.13722176
CAS RN 321408-06-4
C_ID C00045650 ,
InChIKey NBILMSHCIXKQRW-UHFFFAOYNA-N
InChICode InChI=1S/C20H20N2O5/c23-13-10-16-18(14(24)9-15(27-16)11-5-2-1-3-6-11)19(25)17(13)12-7-4-8-21-20(26)22-12/h1-3,5-6,10,12,15,23,25H,4,7-9H2,(H2,21,22,26)/t12-,15-/m0/s1
SMILES C1CNC(=O)N[C@@H](C1)c1c(cc2c(c1O)C(=O)C[C@H](O2)c1ccccc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Lys
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAquilegia ecalcarata Ref.
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