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(Q83129032)
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English
4-methoxy-4-oxobut-2-enoic acid
chemical compound
In more languages
default for all languages
No label defined
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic acyclic ester
1 reference
inferred from
biogenic acyclic ester
fatty acid
1 reference
inferred from
fatty acid
mass
130.026608672
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₅H₆O₄
0 references
canonical SMILES
O=C(O)C=CC(=O)OC
0 references
found in taxon
Rothmannia longiflora
1 reference
stated in
4-Oxonicotinamide-1-(1′-β-?-ribofuranoside) from Rothmannia longiflora Salisb. (Rubiaceae)
Tagetes minuta
1 reference
stated in
Antitumor Activity and Preliminary Phytochemical Examination of Tagetes minuta (Compositae)
Maclura cochinchinensis
1 reference
stated in
Isolation and Identification of Constituents from Cudrania Javanensis
Identifiers
InChI
InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)
0 references
InChIKey
NKHAVTQWNUWKEO-UHFFFAOYSA-N
0 references
PubChem CID
5354456
reason for deprecated rank
applies to other chemical entity
1 reference
title
RCSB PDB - AW9 Ligand Summary Page
(English)
stated in
RCSB protein data bank
language of work or name
English
retrieved
23 February 2021
reference URL
https://www.rcsb.org/ligand/AW9
61799
1 reference
matched by identifier from
InChIKey
InChIKey
NKHAVTQWNUWKEO-UHFFFAOYSA-N
UniChem compound ID
25087522
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50859787
1 reference
matched by identifier from
InChIKey
InChIKey
NKHAVTQWNUWKEO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90809862
0 references
Human Metabolome Database ID
HMDB0243642
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NKHAVTQWNUWKEO-UHFFFAOYSA-N
Probes And Drugs ID
PD024014
0 references
PDB ligand ID
AW9
0 references
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