CHEBI:613 - 1-Caffeoyl-4-deoxyquinic acid

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ChEBI Name 1-Caffeoyl-4-deoxyquinic acid ChEBI ID CHEBI:613 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H18O8 Net Charge 0 Average Mass 338.310 Monoisotopic Mass 338.10017 InChI InChI=1S/C16H18O8/c17-10-6-11(18)8-16(7-10,15(22)23)24-14(21)4-2-9-1-3-12(19)13(20)5-9/h1-5,10-11,17-20H,6-8H2,(H,22,23)/b4-2+/t10-,11-/m0/s1 InChIKey IQRPXVABWMLCMZ-LOMYTOQZSA-N SMILES O[C@H]1C[C@H](O)C[C@](C1)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 1-Caffeoyl-4-deoxyquinic acid (CHEBI:613) is a hydroxycinnamic acid (CHEBI:24689) Synonym Source 1-Caffeoyl-4-deoxyquinic acid KEGG COMPOUND Manual Xrefs Databases C00002717 KNApSAcK C10432 KEGG COMPOUND View more database links Registry Number Type Source 153444-59-8 CAS Registry Number KEGG COMPOUND Last Modified 05 February 2024