input word = C00053055

Metabolite InformationStructural formula
Name Coutaric acid
Formula C13H12O8
Mw 296.05321736
CAS RN 27174-07-8
C_ID C00053055
InChIKey INYJZRKTYXTZHP-NNPIPJJVSA-N
InChICode InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3+/t10-,11-/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)O[C@@H](C(=O)O)[C@@H](O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCymodoceaceaeSyringodium filiforme Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeLabiataePerilla frutescens Ref.
PlantaeLythraceaePunica granatum Ref.
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OrganismPunica granatum
ReferenceWu, S. et al., Molecules 22, (2017), 1606.