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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.
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This entity has been manually annotated by the ChEBI Team.
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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