input word = C00059102

Metabolite InformationStructural formula
Name (2E)-3-(3,4-Dihydroxy-5-methoxyphenyl)-N-[4-[[(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)-1-oxo-2-propen-1-yl]amino]butyl]-N-[3-[[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]amino]propyl]-2-propenamide
Formula C38H45N3O12
Mw 735.30032393
CAS RN 1078119-69-3
C_ID C00059102
InChIKey FDECXSCMWXHRNU-FOXWYSRTSA-N
InChICode InChI=1S/C38H45N3O12/c1-50-29-20-24(18-27(42)36(29)47)8-11-33(44)39-14-5-6-16-41(35(46)13-10-25-19-28(43)37(48)30(21-25)51-2)17-7-15-40-34(45)12-9-26-22-31(52-3)38(49)32(23-26)53-4/h8-13,18-23,42-43,47-49H,5-7,14-17H2,1-4H3,(H,39,44)(H,40,45)/b11-8+,12-9+,13-10+
SMILES COc1cc(C=CC(=O)NCCCCN(CCCNC(=O)C=Cc2cc(OC)c(O)c(OC)c2)C(=O)C=Cc2cc(O)c(O)c(OC)c2)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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OrganismArabidopsis thaliana
Referencehttps://doi.org/10.1111/j.1365-313X.2008.03576.x