input word = C00054144

Metabolite InformationStructural formula
Name 1-O-Caffeoyl-3-O-p-coumaroylglycerol
Formula C21H20O8
Mw 400.11581762
CAS RN 125564-68-3
C_ID C00054144
InChIKey DISOMVQPNGKRHO-LUZURFALSA-N
InChICode InChI=1S/C21H20O8/c22-16-6-1-14(2-7-16)4-9-20(26)28-12-17(23)13-29-21(27)10-5-15-3-8-18(24)19(25)11-15/h1-11,17,22-25H,12-13H2/b9-4+,10-5+
SMILES OC1=C(O)C=CC(/C=C/C(OCC(O)COC(/C=C/C2=CC=C(O)C=C2)=O)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBromeliaceaeAnanas comosus Ref.
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