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(Q105165816)
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English
(1R,5R)-3-amino-7,8-dibromo-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-3,7,9-trien-11-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Dibromophakellin-CASMI2016 Category 1-Challenge 1
1 reference
based on heuristic
inferred from SMILES
(5R)-7,8-dibromo-3-imino-2,4,6,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-7,9-dien-11-one
1 reference
based on heuristic
inferred from SMILES
mass
386.933034172
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Dibromphakellin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(-)-dibromophakellin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₁Br₂N₅O
0 references
canonical SMILES
O=C1C2=CC(Br)=C(Br)N2C3NC(=N)NC43N1CCC4
0 references
isomeric SMILES
N=C1N[C@@H]2n3c(cc(Br)c3Br)C(=O)N3CCC[C@]23N1
0 references
found in taxon
Stylissa massa
1 reference
stated in
Antineoplastic agents. 362. Isolation and X-ray crystal structure of dibromophakellstatin from the Indian ocean sponge Phakellia mauritiana
Identifiers
InChI
InChI=1S/C11H11Br2N5O/c12-5-4-6-8(19)17-3-1-2-11(17)9(15-10(14)16-11)18(6)7(5)13/h4,9H,1-3H2,(H3,14,15,16)/t9-,11-/m1/s1
0 references
InChIKey
MKCFBJDWCJAOTN-MWLCHTKSSA-N
0 references
PubChem CID
162923454
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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