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 COc1cc(/C=C/C(=O)NCCc2c[nH]c3ccc(O)c(-c4c(O)ccc5[nH]cc(CCNC(=O)/C=C/c6ccc(O)c(OC)c6)c45)c23)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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