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(Q75065325)
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English
Bauerine A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
beta-carboline alkaloid
0 references
mass
216.045425968
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₉ClN₂
0 references
canonical SMILES
CN1C2=C(C=CC(=C2)Cl)C3=C1C=NC=C3
0 references
found in taxon
Dichothrix baueriana
1 reference
stated in
beta-Carbolines from the blue-green alga Dichothrix baueriana.
Identifiers
InChI
InChI=1S/C12H9ClN2/c1-15-11-6-8(13)2-3-9(11)10-4-5-14-7-12(10)15/h2-7H,1H3
0 references
InChIKey
CRAMILMCKLDURA-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
189885
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
189885
language of work or name
English
CAS Registry Number
156312-09-3
0 references
PubChem CID
189885
2 references
stated in
PubChem
PubChem CID
189885
language of work or name
English
matched by identifier from
InChIKey
InChIKey
CRAMILMCKLDURA-UHFFFAOYSA-N
ChEBI ID
199328
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H9ClN2/c1-15-11-6-8(13)2-3-9(11)10-4-5-14-7-12(10)15/h2-7H,1H3
UniChem compound ID
139294
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80166077
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
CRAMILMCKLDURA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID3088568
0 references
KNApSAcK ID
C00026780
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CRAMILMCKLDURA-UHFFFAOYSA-N
Natural Product Atlas ID
NPA002073
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CRAMILMCKLDURA-UHFFFAOYSA-N
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