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CHEBI:58240 - aspulvinone E(1−)

ChEBI IDCHEBI:58240
ChEBI Nameaspulvinone E(1−)
Stars
ASCII Nameaspulvinone E(1-)
DefinitionAn organic anion that is the conjugate base of aspulvinone E, arising from selective deprotonation of the butenolide OH group; major species at pH 7.3.
Last Modified8 September 2022
DownloadsMolfile
FormulaC17H11O5
Net Charge-1
Average Mass295.270
Monoisotopic Mass295.06120
SMILESO=C1O/C(=C\c2ccc(O)cc2)C([O-])=C1c1ccc(O)cc1
InChIInChI=1S/C17H12O5/c18-12-5-1-10(2-6-12)9-14-16(20)15(17(21)22-14)11-3-7-13(19)8-4-11/h1-9,18-20H/p-1/b14-9-
InChIKeyBNNVVTQUWNGKPH-ZROIWOOFSA-M
ChEBI Ontology
Outgoing Relation(s)
aspulvinone E(1−) (CHEBI:58240) is a organic anion (CHEBI:25696)
aspulvinone E(1−) (CHEBI:58240) is conjugate base of aspulvinone E (CHEBI:17704)
Incoming Relation(s)
(2Z)-2-[(3,4-dioxocyclohexa-1,5-dien-1-yl)methylidene]-4-(4-hydroxyphenyl)-5-oxo-2,5-dihydrofuran-3-olate (CHEBI:193115) has functional parent aspulvinone E(1−) (CHEBI:58240)
(5Z)-3-(3,4-dihydroxyphenyl)-5-[(3,4-dihydroxyphenyl)methylidene]-5-oxo-2,5-dihydrofuran-3-olate (CHEBI:193114) has functional parent aspulvinone E(1−) (CHEBI:58240)
aspulvinone E (CHEBI:17704) is conjugate acid of aspulvinone E(1−) (CHEBI:58240)
IUPAC Name 
(2Z)-2-(4-hydroxybenzylidene)-4-(4-hydroxyphenyl)-5-oxo-2,5-dihydrofuran-3-olate
Synonyms  Source
aspulvinone E anionChEBI
(2Z)-4-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-5-oxo-2,5-dihydrofuran-3-olateIUPAC
UniProt Name  Source
aspulvinone EUniProt
Manual XrefsDatabases
ASPULVINONE-EMetaCyc