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(Q110177931)
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English
Ianthelliformisamine B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
461.03135124
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₅Br₂N₃O₂
0 references
canonical SMILES
COc1c(Br)cc(C=CC(=O)NCCCNCCCCN)cc1Br
0 references
isomeric SMILES
COc1c(Br)cc(/C=C/C(=O)NCCCNCCCCN)cc1Br
1 reference
based on heuristic
inferred from InChI
found in taxon
Suberea ianthelliformis
1 reference
stated in
Ianthelliformisamines A-C, antibacterial bromotyrosine-derived metabolites from the marine sponge Suberea ianthelliformis.
Identifiers
InChI
InChI=1S/C17H25Br2N3O2/c1-24-17-14(18)11-13(12-15(17)19)5-6-16(23)22-10-4-9-21-8-3-2-7-20/h5-6,11-12,21H,2-4,7-10,20H2,1H3,(H,22,23)/b6-5+
0 references
InChIKey
RQACVBWPNQWEEU-AATRIKPKSA-N
0 references
PubChem CID
59051761
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RQACVBWPNQWEEU-AATRIKPKSA-N
UniChem compound ID
27292024
1 reference
stated in
UniChem
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