input word = C00055553

Metabolite InformationStructural formula
Name 4,4''-Bis(N-feruloyl)serotonin
Formula C40H38N4O8
Mw 702.26896422
CAS RN 175702-03-1
C_ID C00055553
InChIKey URHRFQQPWDNDQE-ACFHMISVSA-N
InChICode InChI=1S/C40H38N4O8/c1-51-33-19-23(3-9-29(33)45)5-13-35(49)41-17-15-25-21-43-27-7-11-31(47)39(37(25)27)40-32(48)12-8-28-38(40)26(22-44-28)16-18-42-36(50)14-6-24-4-10-30(46)34(20-24)52-2/h3-14,19-22,43-48H,15-18H2,1-2H3,(H,41,49)(H,42,50)/b13-5+,14-6+
SMILES OC1=C(OC)C=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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