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CHEBI:141401 - 5,5'-dehydrodivanillate(2−)

ChEBI IDCHEBI:141401
ChEBI Name5,5'-dehydrodivanillate(2−)
Stars
ASCII Name5,5'-dehydrodivanillate(2-)
DefinitionMajor microspecies at pH 7.3.
Last Modified26 February 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC16H12O8
Net Charge-2
Average Mass332.264
Monoisotopic Mass332.05431
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)/p-2
InChIKeyQGCWGSXMGCSFDM-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
5,5'-dehydrodivanillate(2−) (CHEBI:141401) is a aromatic carboxylate (CHEBI:91007)
5,5'-dehydrodivanillate(2−) (CHEBI:141401) is a dicarboxylic acid dianion (CHEBI:28965)
5,5'-dehydrodivanillate(2−) (CHEBI:141401) is conjugate base of 5,5'-Dehydrodivanillate (CHEBI:81693)
Incoming Relation(s)
5,5'-Dehydrodivanillate (CHEBI:81693) is conjugate acid of 5,5'-dehydrodivanillate(2−) (CHEBI:141401)
Synonyms  Source
DDVASUBMITTER
2,2'-dihydroxy-3,3'-dimethoxy-5,5'-dicarboxybiphenylSUBMITTER
UniProt Name  Source
5,5'-dehydrodivanillateUniProt
Manual XrefsDatabases
CPD-11859MetaCyc
Citations