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Purpuroine B
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(CCOC1=CC=C(Br)C=C1Br)[N+](C)(C)C
0 references
isomeric SMILES
C[N+](C)(C)[C@H](CCOc1ccc(Br)cc1Br)C(=O)[O-]
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)11(13(17)18)6-7-19-12-5-4-9(14)8-10(12)15/h4-5,8,11H,6-7H2,1-3H3/t11-/m1/s1
0 references
InChIKey
WSYAJSUDDFHTBT-LLVKDONJSA-N
0 references
PubChem CID
71454033
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WSYAJSUDDFHTBT-LLVKDONJSA-N
UniChem compound ID
31987239
1 reference
stated in
UniChem
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