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CHEBI:149642 - atromentin(1−)

ChEBI IDCHEBI:149642
ChEBI Nameatromentin(1−)
Stars
ASCII Nameatromentin(1-)
DefinitionAn organic anion that is the conjugate base of atromentin, obtained from the deprotonation of one of the hydroxy groups of the 1,4-benzoquinone moiety. It is the major species at pH 7.3.
Last Modified6 May 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H11O6
Net Charge-1
Average Mass323.280
Monoisotopic Mass323.05611
SMILESO=C1C(O)=C(c2ccc(O)cc2)C(=O)C([O-])=C1c1ccc(O)cc1
InChIInChI=1S/C18H12O6/c19-11-5-1-9(2-6-11)13-15(21)17(23)14(18(24)16(13)22)10-3-7-12(20)8-4-10/h1-8,19-21,24H/p-1
InChIKeyFKQQKMGWCJGUCS-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
atromentin(1−) (CHEBI:149642) is a organic anion (CHEBI:25696)
atromentin(1−) (CHEBI:149642) is conjugate base of atromentin (CHEBI:149660)
Incoming Relation(s)
atromentin (CHEBI:149660) is conjugate acid of atromentin(1−) (CHEBI:149642)
IUPAC Name 
4,4'',5'-trihydroxy-3',6'-dioxo-3',6'-dihydro[1,1':4',1''-terphenyl]-2'-olate
Synonyms  Source
14,25,34-trihydroxy-23,26-dioxo-23,26-dihydro[11,21:24,31-terphenyl]-22-olateChEBI
2-hydroxy-3,6-bis(4-hydroxyphenyl)-1,4-benzoquinone-5-olateChEBI
UniProt Name  Source
atromentinUniProt
Citations