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(Q105258994)
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English
(2R)-4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
211.048072388
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S)-4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₉NO₅
0 references
canonical SMILES
O=CC1=CC=C(NC(C(=O)O)C1)C(=O)O
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isomeric SMILES
O=CC1=CC=C(C(=O)O)N[C@@H](C(=O)O)C1
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found in taxon
Hygrocybe conica
1 reference
stated in
l-3,4-dihydroxyphenylalanine from carpophores of Hygrocybe conica and H. ovina
Identifiers
InChI
InChI=1S/C9H9NO5/c11-4-5-1-2-6(8(12)13)10-7(3-5)9(14)15/h1-2,4,7,10H,3H2,(H,12,13)(H,14,15)/t7-/m1/s1
0 references
InChIKey
SRDYVCBFNUJKKW-SSDOTTSWSA-N
0 references
PubChem CID
163083335
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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