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CHEBI:81693 - 5,5'-Dehydrodivanillate

ChEBI IDCHEBI:81693
ChEBI Name5,5'-Dehydrodivanillate
Stars
Last Modified24 July 2018
DownloadsMolfile
FormulaC16H14O8
Net Charge0
Average Mass334.280
Monoisotopic Mass334.06887
SMILESCOc1cc(C(=O)O)cc(-c2cc(C(=O)O)cc(OC)c2O)c1O
InChIInChI=1S/C16H14O8/c1-23-11-5-7(15(19)20)3-9(13(11)17)10-4-8(16(21)22)6-12(24-2)14(10)18/h3-6,17-18H,1-2H3,(H,19,20)(H,21,22)
InChIKeyQGCWGSXMGCSFDM-UHFFFAOYSA-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)
5,5'-Dehydrodivanillate (CHEBI:81693) is a biphenyls (CHEBI:22888)
5,5'-Dehydrodivanillate (CHEBI:81693) is a carboxybiphenyl (CHEBI:141493)
5,5'-Dehydrodivanillate (CHEBI:81693) is conjugate acid of 5,5'-dehydrodivanillate(2−) (CHEBI:141401)
Incoming Relation(s)
5,5'-dehydrodivanillate(2−) (CHEBI:141401) is conjugate base of 5,5'-Dehydrodivanillate (CHEBI:81693)
Manual XrefsDatabases
C18347KEGG COMPOUND
Registry NumbersSources
CAS:2134-90-9KEGG COMPOUND