input word = C00055552

Metabolite InformationStructural formula
Name 4-[N-(p-Coumaroyl)serotonin-4''-yl]-N-feruloylserotonin
Formula C39H36N4O7
Mw 672.25839953
CAS RN 175702-02-0
C_ID C00055552
InChIKey ZPNFTINOYMQICL-PWSZKDBUSA-N
InChICode InChI=1S/C39H36N4O7/c1-50-33-20-24(4-11-30(33)45)6-15-35(49)41-19-17-26-22-43-29-10-13-32(47)39(37(26)29)38-31(46)12-9-28-36(38)25(21-42-28)16-18-40-34(48)14-5-23-2-7-27(44)8-3-23/h2-15,20-22,42-47H,16-19H2,1H3,(H,40,48)(H,41,49)/b14-5+,15-6+
SMILES OC1=CC=C(/C=C/C(NCCC2=CNC3=C2C(C4=C(O)C=CC5=C4C(CCNC(/C=C/C6=CC(OC)=C(O)C=C6)=O)=CN5)=C(O)C=C3)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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