input word = C00059101

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-(3,4-dihydroxy-5-methoxyphenyl)-1-oxo-2-propen-1-yl]amino]propyl]-2-propenamide
Formula C37H43N3O12
Mw 721.28467386
CAS RN 1078119-68-2
C_ID C00059101
InChIKey YVLXSHWZFBDIEL-SRDSWEMOSA-N
InChICode InChI=1S/C37H43N3O12/c1-50-29-20-23(17-26(41)35(29)47)7-10-32(44)38-13-4-5-15-40(34(46)12-9-25-19-28(43)37(49)31(22-25)52-3)16-6-14-39-33(45)11-8-24-18-27(42)36(48)30(21-24)51-2/h7-12,17-22,41-43,47-49H,4-6,13-16H2,1-3H3,(H,38,44)(H,39,45)/b10-7+,11-8+,12-9+
SMILES COc1cc(C=CC(=O)NCCCCN(CCCNC(=O)C=Cc2cc(O)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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