CHEBI:58013 - aspulvinone H(1−)

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ChEBI Name aspulvinone H(1−)
ChEBI ID CHEBI:58013
ChEBI ASCII Name aspulvinone H(1-)
Definition Conjugate base of aspulvinone H arising from selective deprotonation of the butenolide OH group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H27O5
Net Charge -1
Average Mass 431.50030
Monoisotopic Mass 431.18640
InChI InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3/p-1/b24-14-
InChIKey LFDYHAWYVIBCDT-OYKKKHCWSA-M
SMILES CC(C)=CCc1cc(ccc1O)\C=C1OC(=O)C(=C/1[O-])c1ccc(O)c(CC=C(C)C)c1
ChEBI Ontology
Outgoing aspulvinone H(1−) (CHEBI:58013) is a organic anion (CHEBI:25696)
aspulvinone H(1−) (CHEBI:58013) is conjugate base of aspulvinone H (CHEBI:17099)
Incoming aspulvinone H (CHEBI:17099) is conjugate acid of aspulvinone H(1−) (CHEBI:58013)
IUPAC Name
2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzylidene]-4-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-5-oxo-2,5-dihydrofuran-3-olate
Synonyms Sources
aspulvinone H UniProt
aspulvinone H anion ChEBI
Last Modified
13 November 2017