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(Q83037607)
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English
9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-methyl-, methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
beta-carboline alkaloid
0 references
mass
240.089877624
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₂N₂O₂
0 references
canonical SMILES
CC1=C2C(=CC(=N1)C(=O)OC)C3=CC=CC=C3N2
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found in taxon
Nauclea diderrichii
1 reference
stated in
The Constituents of Naucleadiderrichii. Part II. Isolation and Classification of Constituents; Simple β-Carboline and Pyridine Alkaloids
Identifiers
InChI
InChI=1S/C14H12N2O2/c1-8-13-10(7-12(15-8)14(17)18-2)9-5-3-4-6-11(9)16-13/h3-7,16H,1-2H3
0 references
InChIKey
LIAUJQLOCLVMMH-UHFFFAOYSA-N
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CAS Registry Number
16641-82-0
1 reference
InChIKey
LIAUJQLOCLVMMH-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=16641-82-0
PubChem CID
5291723
1 reference
matched by identifier from
InChIKey
InChIKey
LIAUJQLOCLVMMH-UHFFFAOYSA-N
UniChem compound ID
643318
1 reference
stated in
UniChem
NMRShiftDB structure ID
20146942
1 reference
matched by identifier from
InChIKey
InChIKey
LIAUJQLOCLVMMH-UHFFFAOYSA-N
DSSTox substance ID
DTXSID10168100
1 reference
matched by identifier from
InChIKey
InChIKey
LIAUJQLOCLVMMH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID5090591
0 references
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