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(Q104998626)
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Purpuroine C
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
382.969060832
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆BrCl₂NO₃
0 references
canonical SMILES
O=C([O-])C(CCOC1=C(Cl)C=C(Br)C=C1Cl)[N+](C)(C)C
0 references
isomeric SMILES
C[N+](C)(C)[C@H](CCOc1c(Cl)cc(Br)cc1Cl)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/C13H16BrCl2NO3/c1-17(2,3)11(13(18)19)4-5-20-12-9(15)6-8(14)7-10(12)16/h6-7,11H,4-5H2,1-3H3/t11-/m1/s1
0 references
InChIKey
FNZSBVCUBBTGET-LLVKDONJSA-N
0 references
PubChem CID
71462927
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FNZSBVCUBBTGET-LLVKDONJSA-N
UniChem compound ID
31987240
1 reference
stated in
UniChem
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