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(Q82954757)
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English
Methyl aspidofractinine-21-carboxylate
chemical compound
In more languages
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Statements
instance of
group of stereoisomers
0 references
subclass of
aspidospermine / aspidofractine / kopsane alkaloid
1 reference
inferred from
aspidospermine / aspidofractine / kopsane alkaloid
mass
338.199428072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆N₂O₂
0 references
canonical SMILES
O=C(OC)C1CC23CCCN4CCC5(C=6C=CC=CC6NC15CC2)C43
0 references
isomeric SMILES
COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)C43
0 references
found in taxon
Kopsia fruticosa
1 reference
stated in
Grandilodines A-C, biologically active indole alkaloids from Kopsia grandifolia
Kopsia hainanensis
1 reference
stated in
Grandilodines A-C, biologically active indole alkaloids from Kopsia grandifolia
Kopsia larutensis
1 reference
stated in
Grandilodines A-C, biologically active indole alkaloids from Kopsia grandifolia
Alstonia venenata
1 reference
stated in
Chemical constituents of Alstonia venenata R.Br
Kopsia profunda
1 reference
stated in
Dehydropleiocarpine alkaloids from Kopsia profunda
Vinca erecta
1 reference
stated in
Vinca Alkaloids
Aspidosperma macrocarpon
1 reference
stated in
Alkaloids from Aspidosperma species from Bolivia.
Kopsia arborea
1 reference
stated in
Study on the alkaloids of Kopsia officinalis
Kopsia officinalis
1 reference
stated in
Study on the alkaloids of Kopsia officinalis
Identifiers
InChI
InChI=1S/C21H26N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3/t15-,18?,19+,20+,21+/m0/s1
0 references
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
0 references
CAS Registry Number
559-51-3
0 references
PubChem CID
160525
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
UniChem compound ID
56310249
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR300179
1 reference
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR300184
1 reference
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR300189
1 reference
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR300194
1 reference
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR300199
1 reference
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR300204
1 reference
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR300209
1 reference
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR300214
1 reference
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR300219
1 reference
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR300224
1 reference
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR300229
1 reference
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR300234
1 reference
InChIKey
IYLRRIUNGGQRTN-GKCDKPGPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID30971299
0 references
DSSTOX compound identifier
DTXCID701398815
0 references
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