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(Q105343319)
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English
4-(2-aminoethyl)phenyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkyl caffeate ester
0 references
phenethylamine alkaloid
0 references
mass
313.131408088
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₉NO₄
0 references
canonical SMILES
O=C(OC1=CC=C(C=C1)CCN)C=CC2=CC=C(O)C(OC)=C2
0 references
isomeric SMILES
COc1cc(/C=C/C(=O)Oc2ccc(CCN)cc2)ccc1O
1 reference
based on heuristic
inferred from InChI
found in taxon
Piptostigma fugax
1 reference
stated in
Aporphinoid alkaloids and terpenoids from Piptostigma fugax
Identifiers
InChI
InChI=1S/C18H19NO4/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-15-6-2-13(3-7-15)10-11-19/h2-9,12,20H,10-11,19H2,1H3/b9-5+
0 references
InChIKey
XWDDIZKKSZLMEB-WEVVVXLNSA-N
0 references
PubChem CID
15694367
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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