input word = C00054011

Metabolite InformationStructural formula
Name Dicaffeoylspermidine
Formula C25H31N3O6
Mw 469.22128574
CAS RN 59001-33-1
C_ID C00054011
InChIKey OPJNODHFKFAIBH-JMQWPVDRSA-N
InChICode InChI=1S/C25H31N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-11,16-17,26,29-32H,1-3,12-15H2,(H,27,33)(H,28,34)/b10-6+,11-7+
SMILES OC1=C(O)C=CC(/C=C/C(NCCCNCCCCNC(/C=C/C2=CC(O)=C(O)C=C2)=O)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum melongena Ref.
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