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(Q105312830)
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English
(8S)-8-ethyl-15-methoxy-5-oxo-4-oxa-10,20-diazapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁴,¹⁹]icosa-1(13),2,6,14,16,18-hexaene-6-carbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8-ethyl-15-methoxy-5-oxo-4-oxa-10,20-diazapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁴,¹⁹]icosa-1(13),2,6,14,16,18-hexaene-6-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
364.14230712
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀N₂O₄
0 references
canonical SMILES
O=CC=1C(=O)OC2=C3C=4NC=5C=CC=C(OC)C5C4CCN3CC(C21)CC
0 references
isomeric SMILES
CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)C2=C2OC(=O)C(C=O)=C21
0 references
found in taxon
Mitragyna speciosa
2 references
stated in
Chemistry and pharmacology of analgesic indole alkaloids from the rubiaceous plant, Mitragyna speciosa
stated in
New indole alkaloids from the leaves of Malaysian Mitragyna speciosa
Identifiers
InChI
InChI=1S/C21H20N2O4/c1-3-11-9-23-8-7-12-17-14(5-4-6-15(17)26-2)22-18(12)19(23)20-16(11)13(10-24)21(25)27-20/h4-6,10-11,22H,3,7-9H2,1-2H3/t11-/m1/s1
0 references
InChIKey
WTWCPWQXRBJBIQ-LLVKDONJSA-N
0 references
PubChem CID
10690137
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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