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(Q83040834)
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English
2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indol-1-one
chemical compound
In more languages
default values for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
beta-carboline alkaloid
0 references
mass
186.07931294
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₀N₂O
0 references
canonical SMILES
C1CNC(=O)C2=C1C3=CC=CC=C3N2
0 references
found in taxon
Trigonostemon lii
1 reference
stated in
β-Carboline alkaloids from the leaves of Trigonostemon lii Y.T. Chang
Trigonostemon bonianus
1 reference
stated in
β-Carboline alkaloids from the leaves of Trigonostemon lii Y.T. Chang
Identifiers
InChI
InChI=1S/C11H10N2O/c14-11-10-8(5-6-12-11)7-3-1-2-4-9(7)13-10/h1-4,13H,5-6H2,(H,12,14)
0 references
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
0 references
CAS Registry Number
17952-82-8
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=17952-82-8
PubChem CID
87371
1 reference
matched by identifier from
InChIKey
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
UniChem compound ID
406971
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR301092
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301096
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301100
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301104
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301108
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301112
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301116
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301120
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301124
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301128
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301132
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR301136
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR310510
1 reference
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
NMRShiftDB structure ID
20123216
1 reference
matched by identifier from
InChIKey
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
DSSTox substance ID
DTXSID50170823
1 reference
matched by identifier from
InChIKey
InChIKey
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID8093314
0 references
NSC number
147829
0 references
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