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

ChEBI IDCHEBI:613
ChEBI Name1-Caffeoyl-4-deoxyquinic acid
Stars
Last Modified5 February 2024
DownloadsMolfile
FormulaC16H18O8
Net Charge0
Average Mass338.312
Monoisotopic Mass338.10017
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)C[C@@H](O)C[C@H](O)C1
InChIInChI=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
InChIKeyIQRPXVABWMLCMZ-LOMYTOQZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1-Caffeoyl-4-deoxyquinic acid (CHEBI:613) is a hydroxycinnamic acid (CHEBI:24689)
Synonym  Source
1-Caffeoyl-4-deoxyquinic acidKEGG COMPOUND
Manual XrefsDatabases
C00002717KNApSAcK
C10432KEGG COMPOUND
Registry NumbersSources
CAS:153444-59-8KEGG COMPOUND