Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:58240 - aspulvinone E(1−)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
aspulvinone E(1−)
ChEBI ID
CHEBI:58240
ChEBI ASCII Name
aspulvinone E(1-)
Definition
An 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.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C17H11O5
Net Charge
-1
Average Mass
295.26620
Monoisotopic Mass
295.06120
InChI
InChI=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-
InChIKey
BNNVVTQUWNGKPH-ZROIWOOFSA-M
SMILES
Oc1ccc(cc1)\C=C1OC(=O)C(=C/1[O-])c1ccc(O)cc1
ChEBI Ontology
Outgoing
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
(2
Z
)-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
)
(5
Z
)-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
(2
Z
)-2-(4-hydroxybenzylidene)-4-(4-hydroxyphenyl)-5-oxo-2,5-dihydrofuran-3-olate
Synonyms
Sources
(2
Z
)-4-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-5-oxo-2,5-dihydrofuran-3-olate
IUPAC
aspulvinone E
UniProt
aspulvinone E anion
ChEBI
Manual Xref
Database
ASPULVINONE-E
MetaCyc
View more database links
Last Modified
08 September 2022