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Sventrin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrrole alkaloid
0 references
imidazole alkaloid
0 references
mass
400.948684236
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₃Br₂N₅O
0 references
canonical SMILES
O=C(NCC=CC1=CNC(=N)N1)C2=CC(Br)=C(Br)N2C
0 references
isomeric SMILES
Cn1c(C(=O)NC/C=C/c2c[nH]c(=N)[nH]2)cc(Br)c1Br
1 reference
based on heuristic
inferred from InChI
found in taxon
Agelas sventres
3 references
stated in
Sventrin, a new bromopyrrole alkaloid from the Caribbean sponge Agelas sventres
stated in
Sventrin, a new bromopyrrole alkaloid from the Caribbean sponge Agelas sventres
stated in
Sventrin, a new bromopyrrole alkaloid from the Caribbean sponge Agelas sventres
Identifiers
InChI
InChI=1S/C12H13Br2N5O/c1-19-9(5-8(13)10(19)14)11(20)16-4-2-3-7-6-17-12(15)18-7/h2-3,5-6H,4H2,1H3,(H,16,20)(H3,15,17,18)/b3-2+
0 references
InChIKey
IYWMIUVWNUKXHQ-NSCUHMNNSA-N
0 references
PubChem CID
10938301
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IYWMIUVWNUKXHQ-NSCUHMNNSA-N
UniChem compound ID
28677455
1 reference
stated in
UniChem
KNApSAcK ID
C00029066
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IYWMIUVWNUKXHQ-NSCUHMNNSA-N
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