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(Q105244599)
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English
(1S,5R)-3-amino-7,8-dibromo-9-methyl-2,4,9,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-3,6(10),7-trien-11-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Amino-7,8-dibromo-9-methyl-2,4,9,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-3,6(10),7-trien-11-one
1 reference
based on heuristic
inferred from SMILES
mass
400.948684236
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₃Br₂N₅O
0 references
canonical SMILES
O=C1C2=C(C(Br)=C(Br)N2C)C3NC(=N)NC43N1CCC4
0 references
isomeric SMILES
Cn1c(Br)c(Br)c2c1C(=O)N1CCC[C@]13NC(=N)N[C@H]23
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found in taxon
Stylissa caribica
1 reference
stated in
New antifeedant bromopyrrole alkaloid from the Caribbean sponge Stylissa caribica
Identifiers
InChI
InChI=1S/C12H13Br2N5O/c1-18-7-5(6(13)9(18)14)8-12(17-11(15)16-8)3-2-4-19(12)10(7)20/h8H,2-4H2,1H3,(H3,15,16,17)/t8-,12+/m1/s1
0 references
InChIKey
RSEQTLWKMNSLEF-PELKAZGASA-N
0 references
PubChem CID
10927557
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
135501690
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RSEQTLWKMNSLEF-PELKAZGASA-N
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