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(Q104945195)
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English
(1R)-2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
isoquinoline alkaloid
0 references
mass
341.162708216
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₃NO₄
0 references
canonical SMILES
O(C=1C=C2C(=CC1OC)C(N(CC3=CC=C4OCOC4=C3)CC2)C)C
0 references
isomeric SMILES
COc1cc2c(cc1OC)[C@@H](C)N(Cc1ccc3c(c1)OCO3)CC2
0 references
found in taxon
Berberis nummularia
1 reference
stated in
Berberis alkaloids. XXV. Structures of bernumidine and bernumicine
Identifiers
InChI
InChI=1S/C20H23NO4/c1-13-16-10-19(23-3)18(22-2)9-15(16)6-7-21(13)11-14-4-5-17-20(8-14)25-12-24-17/h4-5,8-10,13H,6-7,11-12H2,1-3H3/t13-/m1/s1
0 references
InChIKey
BSDPQEFENGLTDD-CYBMUJFWSA-N
0 references
PubChem CID
7097507
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
20496910
1 reference
stated in
UniChem
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