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(Q83047198)
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English
1-Methyl-beta-carboline-3-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
beta-carboline alkaloid
0 references
mass
226.07422756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₀N₂O₂
0 references
canonical SMILES
CC1=C2C(=CC(=N1)C(=O)O)C3=CC=CC=C3N2
0 references
found in taxon
Chimarrhis turbinata
3 references
stated in
Indole glucoalkaloids from Chimarrhis turbinata and their evaluation as antioxidant agents and acetylcholinesterase inhibitors
stated in
Indole monoterpene alkaloids from Chimarrhis turbinata DC Prodr.: a contribution to the chemotaxonomic studies of the Rubiaceae family
stated in
Indole monoterpene alkaloids from Chimarrhis turbinata DC Prodr.: a contribution to the chemotaxonomic studies of the Rubiaceae family
Identifiers
InChI
InChI=1S/C13H10N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-6,15H,1H3,(H,16,17)
0 references
InChIKey
MFEZJNMQTQMDRQ-UHFFFAOYSA-N
0 references
CAS Registry Number
22329-38-0
0 references
PubChem CID
5406157
1 reference
matched by identifier from
InChIKey
InChIKey
MFEZJNMQTQMDRQ-UHFFFAOYSA-N
UniChem compound ID
116929
1 reference
stated in
UniChem
NMRShiftDB structure ID
20181043
1 reference
matched by identifier from
InChIKey
InChIKey
MFEZJNMQTQMDRQ-UHFFFAOYSA-N
DSSTox substance ID
DTXSID30176868
1 reference
matched by identifier from
InChIKey
InChIKey
MFEZJNMQTQMDRQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID1099359
0 references
KNApSAcK ID
C00043569
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MFEZJNMQTQMDRQ-UHFFFAOYSA-N
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