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CHEBI:81694 - 5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid

ChEBI IDCHEBI:81694
ChEBI Name5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid
Stars
DefinitionA dicarboxylic acid that is 5,5',6,6'-tetrahydroxy[biphenyl]-3,3'dicarboxylic acid in which one of the hydroxy groups that is meta to a carboxy group has been converted into the corresponding methyl ether.
Last Modified28 April 2020
DownloadsMolfile
FormulaC15H12O8
Net Charge0
Average Mass320.253
Monoisotopic Mass320.05322
SMILESCOc1cc(C(=O)O)cc(-c2cc(C(=O)O)cc(O)c2O)c1O
InChIInChI=1S/C15H12O8/c1-23-11-5-7(15(21)22)3-9(13(11)18)8-2-6(14(19)20)4-10(16)12(8)17/h2-5,16-18H,1H3,(H,19,20)(H,21,22)
InChIKeyIOAGJFSRYOGIAF-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)
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid (CHEBI:81694) is a aromatic ether (CHEBI:35618)
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid (CHEBI:81694) is a carboxybiphenyl (CHEBI:141493)
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid (CHEBI:81694) is a catechols (CHEBI:33566)
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid (CHEBI:81694) is a dicarboxylic acid (CHEBI:35692)
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid (CHEBI:81694) is a hydroxybiphenyls (CHEBI:24681)
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid (CHEBI:81694) is conjugate acid of 5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylate (CHEBI:141402)
Incoming Relation(s)
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylate (CHEBI:141402) is conjugate base of 5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid (CHEBI:81694)
IUPAC Name 
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid
Synonyms  Source
2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenylKEGG COMPOUND
OH-DDVAChEBI
Manual XrefsDatabases
C18348KEGG COMPOUND
Registry NumbersSources
Reaxys:31158069Reaxys
Citations