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

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

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ChEBI ID	CHEBI:81694
ChEBI Name	5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid
Stars
Definition	A 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 Modified	28 April 2020
Downloads	Molfile

Formula	C15H12O8
Net Charge	0
Average Mass	320.253
Monoisotopic Mass	320.05322
SMILES	COc1cc(C(=O)O)cc(-c2cc(C(=O)O)cc(O)c2O)c1O
InChI	InChI=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)
InChIKey	IOAGJFSRYOGIAF-UHFFFAOYSA-N

Roles Classification

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)
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'-dicarboxybiphenyl	KEGG COMPOUND
OH-DDVA	ChEBI

Manual Xrefs	Databases
C18348	KEGG COMPOUND

Registry Numbers	Sources
Reaxys:31158069	Reaxys

Citations