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(Q113555371)
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English
dopachrome o-semiquinone
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
5,6-Dihydroxy-2-indolinecarboxylic acid
1 reference
based on heuristic
inferred from InChIKey
mass
195.053157768
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
leucodopachrome
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₉H₉NO₄
0 references
canonical SMILES
O=C(O)C1Cc2cc(O)c(O)cc2N1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1[C@@H](NC2=CC(=C(C=C21)O)O)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C9H9NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10-12H,1H2,(H,13,14)/t6-/m1/s1
0 references
InChIKey
JDWYRSDDJVCWPB-ZCFIWIBFSA-N
0 references
PubChem CID
53481550
1 reference
matched by identifier from
InChIKey
InChIKey
JDWYRSDDJVCWPB-ZCFIWIBFSA-N
UniChem compound ID
57133277
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501191065
1 reference
matched by identifier from
InChIKey
InChIKey
JDWYRSDDJVCWPB-ZCFIWIBFSA-N
Human Metabolome Database ID
HMDB0012931
0 references
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