input word = C00063387

Metabolite InformationStructural formula
Name 2-O-Caffeoylmalic acid
Formula C13H12O8
Mw 296.05321736
CAS RN 92344-57-5
C_ID C00063387
InChIKey PMKQSEYPLQIEAY-UHFFFAOYSA-N
InChICode InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+
SMILES O=C(O)CC(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica rapa Ref.
PlantaeFabaceaePisum sativum Ref.
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