input word = C00058181

Metabolite InformationStructural formula
Name Sinapoylspermine
Formula C21H36N4O4
Mw 408.27365567
CAS RN 70185-65-8
C_ID C00058181
InChIKey LNABMWSVDFYCAA-BQYQJAHWSA-N
InChICode InChI=1S/C21H36N4O4/c1-28-19-15-17(26)16-20(29-2)18(19)7-8-21(27)25-14-4-3-10-23-12-6-13-24-11-5-9-22/h7-8,15-16,23-24,26H,3-6,9-14,22H2,1-2H3,(H,25,27)/b8-7+
SMILES COc1cc(O)cc(OC)c1/C=C/C(=O)NCCCCNCCCNCCCN
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica oleracea var. botrytis Ref.
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