input word = C00056759

Metabolite InformationStructural formula
Name S-Ferulyl-N-gamma-glutamylcysteine
Formula C18H24N2O7S
Mw 412.13042187
CAS RN 1260113-98-1
C_ID C00056759
InChIKey KOPZPEQZIZDBKX-IVPXFZNXSA-N
InChICode InChI=1S/C18H24N2O7S/c1-27-15-9-11(4-6-14(15)21)3-2-8-28-10-13(18(25)26)20-16(22)7-5-12(19)17(23)24/h2-4,6,9,12-13,21H,5,7-8,10,19H2,1H3,(H,20,22)(H,23,24)(H,25,26)/b3-2+/t12-,13-/m0/s1
SMILES COC1=C(O)C=CC(/C=C/CSC[C@H](NC(CC[C@H](N)C(O)=O)=O)C(O)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBromeliaceaeAnanas comosus Ref.
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