Compound Details

 Compound-ID 12518
 Common Name 5-O-Caffeoylshikimic acid
 Synonyms 5-O-Caffeoylshikimate
 InChI InChI=1/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1
 SMILES O=C(O)C1=CC(O)C(O)C(C1)OC(=O)C=Cc2ccc(O)c(O)c2
 External Links
 KEGG-COMPOUND-ID C10434
 PUBCHEM-ID 12619
 ChEBI-ID 133566
91005
2106
 METACYC-ID CAFFEOYLSHIKIMATE
 METANETX-ID MNXM4499


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