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(Q115947155)
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English
Methyl 2-hydroxy-3-(1H-indol-3-yl)propanoate
group of stereoisomers with the chemical formula C₁₂H₁₃NO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
219.089543276
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₃NO₃
0 references
canonical SMILES
O=C(OC)C(O)CC1=CNC=2C=CC=CC21
0 references
found in taxon
tomato
1 reference
stated in
Ultra-high performance liquid chromatography coupled to high resolution Orbitrap mass spectrometry for metabolomic profiling of the endogenous phytohormonal status of the tomato plant.
Identifiers
InChI
InChI=1S/C12H13NO3/c1-16-12(15)11(14)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3
0 references
InChIKey
YHKXBTJWCNPFQV-UHFFFAOYSA-N
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PubChem CID
582762
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHKXBTJWCNPFQV-UHFFFAOYSA-N
UniChem compound ID
25909882
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201016214
1 reference
matched by identifier from
InChIKey
InChIKey
YHKXBTJWCNPFQV-UHFFFAOYSA-N
KNApSAcK ID
C00060521
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHKXBTJWCNPFQV-UHFFFAOYSA-N
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