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(Q105247513)
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English
Methyl 2-(3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl)-3-methoxyprop-2-enoate
group of stereoisomers with the chemical formula C₂₃H₃₀N₂O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
indolo[2,3-a]quinolizine alkaloid
1 reference
inferred from
indolo[2,3-a]quinolizine alkaloid
mass
414.21547206
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₀N₂O₅
0 references
canonical SMILES
O=C(OC)C(=COC)C1CC2C3=NC=4C=CC=C(OC)C4C3(O)CCN2CC1CC
0 references
found in taxon
Mitragyna
1 reference
stated in
Chemistry and pharmacology of analgesic indole alkaloids from the rubiaceous plant, Mitragyna speciosa
Identifiers
InChI
InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3
0 references
InChIKey
RYENLSMHLCNXJT-UHFFFAOYSA-N
0 references
PubChem CID
74987192
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RYENLSMHLCNXJT-UHFFFAOYSA-N
ChEBI ID
182588
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3
UniChem compound ID
77918421
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR310639
1 reference
InChIKey
RYENLSMHLCNXJT-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0247263
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RYENLSMHLCNXJT-UHFFFAOYSA-N
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