input word = C00002730

Metabolite InformationStructural formula
Name 4-p-Coumaroylquinic acid
Formula C16H18O8
Mw 338.10016755
CAS RN 93451-44-6
C_ID C00002730 ,
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 O[C@@]1(C[C@H]([C@H]([C@@H](C1)O)OC(=O)/C=C/c1ccc(cc1)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeMalus domestica Ref.
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