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(Q105031962)
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English
(2R)-3-(2,6-dibromo-4-methoxyphenyl)-2-(trimethylazaniumyl)propanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
392.957517604
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₇Br₂NO₃
0 references
canonical SMILES
O=C([O-])C(CC1=C(Br)C=C(OC)C=C1Br)[N+](C)(C)C
0 references
isomeric SMILES
COc1cc(Br)c(C[C@H](C(=O)[O-])[N+](C)(C)C)c(Br)c1
0 references
found in taxon
Iotrochota purpurea
1 reference
stated in
Purpuroines A-J, halogenated alkaloids from the sponge Iotrochota purpurea with antibiotic activity and regulation of tyrosine kinases.
Identifiers
InChI
InChI=1S/C13H17Br2NO3/c1-16(2,3)12(13(17)18)7-9-10(14)5-8(19-4)6-11(9)15/h5-6,12H,7H2,1-4H3/t12-/m1/s1
0 references
InChIKey
HPWZPBRHLVYCSN-GFCCVEGCSA-N
0 references
PubChem CID
71459445
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HPWZPBRHLVYCSN-GFCCVEGCSA-N
UniChem compound ID
31987248
1 reference
stated in
UniChem
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