input word = C00038068

Metabolite InformationStructural formula
Name (+)-3-O-Feruloylcassine
Formula C28H43NO5
Mw 473.31412349
CAS RN 1002097-72-4
C_ID C00038068 ,
InChIKey STSLNURRVKPSHZ-IROJMHOLNA-N
InChICode InChI=1S/C28H43NO5/c1-21(30)12-10-8-6-4-5-7-9-11-13-24-16-18-26(22(2)29-24)34-28(32)19-15-23-14-17-25(31)27(20-23)33-3/h14-15,17,19-20,22,24,26,29,31H,4-13,16,18H2,1-3H3/b19-15+/t22-,24+,26-/m1/s1
SMILES [C@H]1(N[C@@H]([C@@H](CC1)OC(=O)/C=C/c1ccc(c(c1)OC)O)C)CCCCCCCCCCC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSenna spectabilis Ref.
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