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(Q105203411)
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English
Methyl 17-(1-hydroxyethyl)-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
group of stereoisomers with the chemical formula C₂₂H₂₈N₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
iboga alkaloid
1 reference
inferred from
iboga alkaloid
mass
384.204907376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₈N₂O₄
0 references
canonical SMILES
O=C(OC)C12C=3NC=4C=CC(OC)=CC4C3CCN5CC(CC(C(O)C)C51)C2
0 references
found in taxon
Tabernaemontana eglandulosa
1 reference
stated in
Alkaloids of Tabernaemontana divaricata
Tabernaemontana contorta
1 reference
stated in
Tertiary indole alkaloids from leaves of Tabernaemontana dichotoma
Tabernaemontana mocquerysii
1 reference
stated in
Terpenoids and alkaloids of the leaves of Tabernaemontana coronaria
Tabernaemontana alba
1 reference
stated in
Studies on Natural Products from Cuban Plants. Alkaloids fromTabernaemontana citrifolia
Identifiers
InChI
InChI=1S/C22H28N2O4/c1-12(25)16-8-13-10-22(21(26)28-3)19-15(6-7-24(11-13)20(16)22)17-9-14(27-2)4-5-18(17)23-19/h4-5,9,12-13,16,20,23,25H,6-8,10-11H2,1-3H3
0 references
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
0 references
PubChem CID
3582412
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
181704
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H28N2O4/c1-12(25)16-8-13-10-22(21(26)28-3)19-15(6-7-24(11-13)20(16)22)17-9-14(27-2)4-5-18(17)23-19/h4-5,9,12-13,16,20,23,25H,6-8,10-11H2,1-3H3
UniChem compound ID
48395798
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR308878
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR310627
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304442
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304446
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304450
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304454
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304457
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304461
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304465
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304469
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304473
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304477
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304480
1 reference
InChIKey
OYMQKBZMKFJPMH-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR304484
1 reference
InChIKey
OYMQKBZMKFJPMH-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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