input word = C00027207

Metabolite InformationStructural formula
Name Crispine D
Formula C20H31N7O2
Mw 401.25392329
CAS RN 474304-19-3
C_ID C00027207 ,
InChIKey WKRLLRULODTOQU-UHFFFAOYSA-N
InChICode InChI=1S/C20H31N7O2/c1-28-17-10-14-13(6-3-4-8-25-19(21)22)12-27-16(7-5-9-26-20(23)24)15(14)11-18(17)29-2/h10-12H,3-9H2,1-2H3,(H4,21,22,25)(H4,23,24,26)
SMILES c1c2c(cc(c1OC)OC)c(ncc2CCCCNC(=N)N)CCCNC(=N)N
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarduus crispus Ref.
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