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(Q104935700)
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English
[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (E)-3-(4-acetyloxyphenyl)prop-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
quinolizidine alkaloid
0 references
mass
357.194008344
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₇NO₄
0 references
canonical SMILES
O=C(OCC1CCCN2CCCCC21)C=CC3=CC=C(OC(=O)C)C=C3
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isomeric SMILES
CC(=O)Oc1ccc(/C=C/C(=O)OC[C@H]2CCCN3CCCC[C@H]23)cc1
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found in taxon
Lupinus hirsutus
1 reference
stated in
New Lupine Alkaloids from the Seedlings of Lupinus hirsutus and Change of Alkaloid Pattern with Germination
Lupinus pilosus
1 reference
stated in
New Lupine Alkaloids from the Seedlings of Lupinus hirsutus and Change of Alkaloid Pattern with Germination
Lupinus micranthus
1 reference
stated in
New Lupine Alkaloids from the Seedlings of Lupinus hirsutus and Change of Alkaloid Pattern with Germination
Lupinus gussoneanus
1 reference
stated in
New Lupine Alkaloids from the Seedlings of Lupinus hirsutus and Change of Alkaloid Pattern with Germination
Lupinus polycarpus
1 reference
stated in
New Lupine Alkaloids from the Seedlings of Lupinus hirsutus and Change of Alkaloid Pattern with Germination
Identifiers
InChI
InChI=1S/C21H27NO4/c1-16(23)26-19-10-7-17(8-11-19)9-12-21(24)25-15-18-5-4-14-22-13-3-2-6-20(18)22/h7-12,18,20H,2-6,13-15H2,1H3/b12-9+/t18-,20-/m1/s1
0 references
InChIKey
BGRJFGWDFMYSGC-IEYVCLCVSA-N
0 references
PubChem CID
163003836
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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