input word = C00054036

Metabolite InformationStructural formula
Name S-p-Coumarylglutathione
Formula C19H25N3O7S
Mw 439.14132091
CAS RN 1260113-99-2
C_ID C00054036
InChIKey BMDQMTIYUGJORV-QJVFMVDXSA-N
InChICode InChI=1S/C19H25N3O7S/c20-14(19(28)29)7-8-16(24)22-15(18(27)21-10-17(25)26)11-30-9-1-2-12-3-5-13(23)6-4-12/h1-6,14-15,23H,7-11,20H2,(H,21,27)(H,22,24)(H,25,26)(H,28,29)/b2-1+/t14-,15-/m0/s1
SMILES OC1=CC=C(/C=C/CSC[C@@H](C(NCC(O)=O)=O)NC(CC[C@H](N)C(O)=O)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBromeliaceaeAnanas comosus Ref.
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OrganismAnanas comosus
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 596A

787D (ir)