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Pseudoceratinine B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
502.04477569209
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₆Br₂N₅O₂⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1c(Br)cc(CC(C(=O)NCCc2c[nH]c(=N)[nH]2)[N+](C)(C)C)cc1Br
0 references
isomeric SMILES
COc1c(Br)cc(C[C@@H](C(=O)NCCc2c[nH]c(=N)[nH]2)[N+](C)(C)C)cc1Br
0 references
found in taxon
Pseudoceratina verrucosa
1 reference
stated in
Bromotyrosine Alkaloids from the SpongePseudoceratina verrucosa
Identifiers
InChI
InChI=1S/C18H25Br2N5O2/c1-25(2,3)15(9-11-7-13(19)16(27-4)14(20)8-11)17(26)22-6-5-12-10-23-18(21)24-12/h7-8,10,15H,5-6,9H2,1-4H3,(H3-,21,22,23,24,26)/p+1/t15-/m0/s1
0 references
InChIKey
ZWPOYDSDGUGVKN-HNNXBMFYSA-O
0 references
PubChem CID
10744108
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
32703342
1 reference
stated in
UniChem
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