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(Q105254370)
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English
7-Ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
group of stereoisomers with the chemical formula C₂₁H₂₆N₂O₃
In more languages
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Statements
instance of
group of stereoisomers
0 references
subclass of
gelsemine-type alkaloid
1 reference
inferred from
gelsemine-type alkaloid
mass
354.19434269199996
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆N₂O₃
0 references
canonical SMILES
O=C1N(OC)C=2C=CC=CC2C13CC4N(C)CC(=CC)C5CC3OCC54
0 references
Identifiers
InChI
InChI=1S/C21H26N2O3/c1-4-13-11-22(2)18-10-21(19-9-14(13)15(18)12-26-19)16-7-5-6-8-17(16)23(25-3)20(21)24/h4-8,14-15,18-19H,9-12H2,1-3H3
0 references
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
0 references
PubChem CID
75055101
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
ChEBI ID
181368
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H26N2O3/c1-4-13-11-22(2)18-10-21(19-9-14(13)15(18)12-26-19)16-7-5-6-8-17(16)23(25-3)20(21)24/h4-8,14-15,18-19H,9-12H2,1-3H3
UniChem compound ID
77985138
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR308870
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR310609
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304512
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304515
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304518
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304521
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304524
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304527
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304530
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304533
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304536
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304539
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304542
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304545
1 reference
InChIKey
SJKRPUOXUNOPOP-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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