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(Q82435918)
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English
2-(4-Bromophenyl)-2-oxoethyl (2S)-2-methylbutanoate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
298.02045644
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₅BrO₃
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canonical SMILES
O=C(OCC(=O)C1=CC=C(Br)C=C1)C(C)CC
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isomeric SMILES
CC[C@H](C)C(=O)OCC(=O)C1=CC=C(C=C1)Br
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found in taxon
Cuscuta australis
1 reference
stated in
Components of the ether-insoluble resin glycoside fraction from the seed of Cuscuta australis
Cuscuta obtusiflora
1 reference
stated in
Components of the ether-insoluble resin glycoside fraction from the seed of Cuscuta australis
Cuscuta scandens
1 reference
stated in
Components of the ether-insoluble resin glycoside fraction from the seed of Cuscuta australis
Ipomoea capillacea
1 reference
stated in
Resin glycosides. II. Identification and characterization of the component organic and glycosidic acids of the crude resin glycoside from the seeds of Ipomoea muricata.
Ipomoea muricata
1 reference
stated in
Resin glycosides. II. Identification and characterization of the component organic and glycosidic acids of the crude resin glycoside from the seeds of Ipomoea muricata.
Cuscuta tasmanica
1 reference
stated in
Components of the ether-insoluble resin glycoside fraction from the seed of Cuscuta australis
Identifiers
InChI
InChI=1S/C13H15BrO3/c1-3-9(2)13(16)17-8-12(15)10-4-6-11(14)7-5-10/h4-7,9H,3,8H2,1-2H3/t9-/m0/s1
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InChIKey
DWEPOSPZDCKWMK-VIFPVBQESA-N
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CAS Registry Number
52619-46-2
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PubChem CID
14033790
1 reference
matched by identifier from
InChIKey
InChIKey
DWEPOSPZDCKWMK-VIFPVBQESA-N
UniChem compound ID
45211846
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20554757
1 reference
matched by identifier from
InChIKey
InChIKey
DWEPOSPZDCKWMK-VIFPVBQESA-N
DSSTOX compound identifier
DTXCID00505540
0 references
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