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CHEBI:58013 - aspulvinone H(1−)

Default Structure
ChEBI IDCHEBI:58013
ChEBI Nameaspulvinone H(1−)
Stars
ASCII Nameaspulvinone H(1-)
DefinitionConjugate base of aspulvinone H arising from selective deprotonation of the butenolide OH group; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC27H27O5
Net Charge-1
Average Mass431.508
Monoisotopic Mass431.18640
SMILESCC(C)=CCc1cc(/C=C2\OC(=O)C(c3ccc(O)c(CC=C(C)C)c3)=C2[O-])ccc1O
InChIInChI=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-
InChIKeyLFDYHAWYVIBCDT-OYKKKHCWSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
aspulvinone H anionChEBI
UniProt Name  Source
aspulvinone HUniProt