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(Q72483110)
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English
N-(3-Indolylacetyl)-L-isoleucine
chemical compound
Indole-3-acetyl-L-isoleucine
In more languages
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Statements
instance of
type of chemical entity
0 references
subclass of
indoleacetic acid amide conjugate
1 reference
based on heuristic
inferred from SMILES
mass
288.1473925
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₀N₂O₃
0 references
canonical SMILES
O=C(O)C(NC(=O)CC1=CNC=2C=CC=CC21)C(C)CC
0 references
isomeric SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
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/C16H20N2O3/c1-3-10(2)15(16(20)21)18-14(19)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,15,17H,3,8H2,1-2H3,(H,18,19)(H,20,21)/t10-,15-/m0/s1
0 references
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
0 references
CAS Registry Number
57105-45-0
0 references
PubChem CID
644226
1 reference
matched by identifier from
InChIKey
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
UniChem compound ID
24230291
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR304086
1 reference
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304088
1 reference
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304090
1 reference
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304091
1 reference
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304093
1 reference
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304095
1 reference
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304097
1 reference
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304099
1 reference
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304101
1 reference
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304103
1 reference
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304105
1 reference
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304107
1 reference
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID80972574
1 reference
matched by identifier from
InChIKey
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
DSSTOX compound identifier
DTXCID101400044
0 references
KNApSAcK ID
C00062252
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WPTUQMUCTTVOFW-BONVTDFDSA-N
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