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CHEBI:141402 - 5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylate

ChEBI IDCHEBI:141402
ChEBI Name5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylate
Stars
DefinitionA dicarboxylic acid dianion resulting from the deprotonation of both ot the carboxy groups of 5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid. The major microspecies at pH 7.3.
Last Modified24 July 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC15H10O8
Net Charge-2
Average Mass318.237
Monoisotopic Mass318.03866
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)/p-2
InChIKeyIOAGJFSRYOGIAF-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylate (CHEBI:141402) is a aromatic carboxylate (CHEBI:91007)
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylate (CHEBI:141402) is a dicarboxylic acid dianion (CHEBI:28965)
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)
Incoming Relation(s)
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)
IUPAC Name 
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylate
Synonyms  Source
2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl(2−)ChEBI
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylate(2−)ChEBI
UniProt Name  Source
2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenylUniProt
Manual XrefsDatabases
CPD-11860MetaCyc
Citations