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(Q105252408)
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English
(S)-4-Oxo-3-methyl-4-(2,3-dihydroxyphenyl)butyric acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(2,3-dihydroxyphenyl)-3-methyl-4-oxobutanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
224.068473484
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Plumbagic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₂O₅
0 references
canonical SMILES
O=C(O)CC(C(=O)C=1C=CC=C(O)C1O)C
0 references
isomeric SMILES
C[C@@H](CC(=O)O)C(=O)c1cccc(O)c1O
0 references
found in taxon
Ceratostigma willmottianum
2 references
stated in
Chemical Components from Ceratostigmawillmottianum
stated in
Chemical Components from Ceratostigmawillmottianum
Identifiers
InChI
InChI=1S/C11H12O5/c1-6(5-9(13)14)10(15)7-3-2-4-8(12)11(7)16/h2-4,6,12,16H,5H2,1H3,(H,13,14)/t6-/m0/s1
0 references
InChIKey
SGNALGPYOOQHOT-LURJTMIESA-N
0 references
PubChem CID
92468469
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97637681
1 reference
stated in
UniChem
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