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English
(6S)-2-[1-amino-3-(4-hydroxyphenyl)propylidene]-6-hydroxy-5-methoxy-4,6-dimethylcyclohex-4-ene-1,3-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
331.141972772
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2Z,6S)-2-[1-amino-3-(4-hydroxyphenyl)propylidene]-6-hydroxy-5-methoxy-4,6-dimethylcyclohex-4-ene-1,3-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₁NO₅
0 references
canonical SMILES
O=C1C(C(=O)C(O)(C(OC)=C1C)C)=C(N)CCC2=CC=C(O)C=C2
0 references
isomeric SMILES
COC1=C(C)C(=O)C(=C(N)CCc2ccc(O)cc2)C(=O)[C@@]1(C)O
0 references
found in taxon
Desmos dunalii
1 reference
stated in
Dunaliine A, a new amino diketone from Desmos dunalii (Annonaceae).
Identifiers
InChI
InChI=1S/C18H21NO5/c1-10-15(21)14(16(22)18(2,23)17(10)24-3)13(19)9-6-11-4-7-12(20)8-5-11/h4-5,7-8,20,23H,6,9,19H2,1-3H3/t18-/m1/s1
0 references
InChIKey
GDGWAQASCRVSMR-GOSISDBHSA-N
0 references
PubChem CID
162900201
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GDGWAQASCRVSMR-GOSISDBHSA-N
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