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(Q83051214)
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Brevicarine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
beta-carboline alkaloid
0 references
mass
267.173547672
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₁N₃
0 references
canonical SMILES
CC1=NC=C(C2=C1NC3=CC=CC=C32)CCCCNC
0 references
found in taxon
Carex brevicollis
2 references
stated in
Alkaloid-Bearing Plants and Their Contained Alkaloids. 1957-1968
stated in
1,4-Substituted b-Carbolines from Carex brevicollis DC
Identifiers
InChI
InChI=1S/C17H21N3/c1-12-17-16(14-8-3-4-9-15(14)20-17)13(11-19-12)7-5-6-10-18-2/h3-4,8-9,11,18,20H,5-7,10H2,1-2H3
0 references
InChIKey
OMGIBPZQATWNBX-UHFFFAOYSA-N
0 references
CAS Registry Number
25978-39-6
0 references
PubChem CID
5490034
0 references
ChEBI ID
182703
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H21N3/c1-12-17-16(14-8-3-4-9-15(14)20-17)13(11-19-12)7-5-6-10-18-2/h3-4,8-9,11,18,20H,5-7,10H2,1-2H3
UniChem compound ID
845522
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_NPDepo-CB000064
1 reference
InChIKey
OMGIBPZQATWNBX-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA00205
1 reference
InChIKey
OMGIBPZQATWNBX-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA00206
1 reference
InChIKey
OMGIBPZQATWNBX-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA00207
1 reference
InChIKey
OMGIBPZQATWNBX-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA00208
1 reference
InChIKey
OMGIBPZQATWNBX-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID40180638
1 reference
matched by identifier from
InChIKey
InChIKey
OMGIBPZQATWNBX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80103129
0 references
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