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(Q104401637)
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Monobromophakellin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
309.022522104
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂BrN₅O
0 references
canonical SMILES
O=C1C2=CC(Br)=CN2C3NC(=N)NC43N1CCC4
0 references
isomeric SMILES
N=C1N[C@@H]2n3cc(Br)cc3C(=O)N3CCC[C@@]23N1
0 references
found in taxon
Agelas dispar
2 references
stated in
Bromopyrrole Carboxamide Biosynthetic Products from the Caribbean Sponge Agelas dispar
stated in
Bromopyrrole carboxamide biosynthetic products from the Caribbean sponge Agelas dispar
Identifiers
InChI
InChI=1S/C11H12BrN5O/c12-6-4-7-8(18)17-3-1-2-11(17)9(16(7)5-6)14-10(13)15-11/h4-5,9H,1-3H2,(H3,13,14,15)/t9-,11+/m1/s1
0 references
InChIKey
ANCHLEBCUYPRNH-KOLCDFICSA-N
0 references
PubChem CID
24805348
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
101837578
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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