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(Q82911040)
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English
(2r,3s)-1,4-Bis(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
CID 18458321
1 reference
based on heuristic
inferred from SMILES
mass
344.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄O₅
0 references
canonical SMILES
O=C(C1=CC=C(O)C(OC)=C1)C(C)C(C)CC2=CC=C(O)C(OC)=C2
0 references
isomeric SMILES
C[C@@H](CC1=CC(=C(C=C1)O)OC)[C@@H](C)C(=O)C2=CC(=C(C=C2)O)OC
0 references
found in taxon
Cinnamomum philippinense
1 reference
stated in
Lignans and an aromatic acid from Cinnamomum philippinense
Identifiers
InChI
InChI=1S/C20H24O5/c1-12(9-14-5-7-16(21)18(10-14)24-3)13(2)20(23)15-6-8-17(22)19(11-15)25-4/h5-8,10-13,21-22H,9H2,1-4H3/t12-,13+/m0/s1
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InChIKey
FPJCOLPRFZWPHM-QWHCGFSZSA-N
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CAS Registry Number
154677-96-0
0 references
PubChem CID
169883
0 references
UniChem compound ID
32027280
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80935043
0 references
DSSTOX compound identifier
DTXCID201363679
0 references
KNApSAcK ID
C00058403
1 reference
based on heuristic
inferred from InChIKey
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