input word = C00032657

Metabolite InformationStructural formula
Name 4-O-p-Coumaroylquinic acid
p-Coumaroylquinic acid
Formula C16H18O8
Mw 338.10016755
CAS RN 53539-37-0
C_ID C00032657 ,
InChIKey XWRHBGVVCOSNKO-BDZIJADZNA-N
InChICode InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16-/m1/s1
SMILES [C@@]1(C[C@H]([C@H]([C@@H](C1)O)OC(=O)/C=C/c1ccc(cc1)O)O)(O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron galactinum Ref.
PlantaeEricaceaeRhododendron praevernum Ref.
PlantaeEricaceaeRhododendron sp. Ref.
PlantaeMyrtaceaeKunzea ambigua Ref.
PlantaeRosaceaeEriobotrya japonica Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRutaceaeRuta graveolens Ref.
--Caffea sp. Ref.
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