input word = C00056004

Metabolite InformationStructural formula
Name N1,N4,N12-tris(dihydrocaffeoyl)spermine
Formula C37H50N4O9
Mw 694.35777923
CAS RN 859341-33-6
C_ID C00056004
InChIKey LENAJIZEHDVKNW-UHFFFAOYSA-N
InChICode InChI=1S/C37H50N4O9/c42-29-11-5-26(23-32(29)45)8-14-35(48)39-19-3-18-38-17-1-2-21-41(37(50)16-10-28-7-13-31(44)34(47)25-28)22-4-20-40-36(49)15-9-27-6-12-30(43)33(46)24-27/h5-7,11-13,23-25,38,42-47H,1-4,8-10,14-22H2,(H,39,48)(H,40,49)
SMILES OC1=C(O)C=C(CCC(NCCCN(C(CCC2=CC(O)=C(O)C=C2)=O)CCCCNCCCNC(CCC3=CC=C(O)C(O)=C3)=O)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum tuberosum Ref.
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