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(Q105339401)
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C18H21BrO2
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
0 references
mass
348.072492012
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₁BrO₂
0 references
canonical SMILES
O=C(O)CCCC#CC=CCCCCC=CC#CC=CBr
0 references
isomeric SMILES
O=C(O)CCCC#C/C=C/CCCC/C=C/C#C/C=C/Br
1 reference
based on heuristic
inferred from InChI
found in taxon
Xestospongia muta
1 reference
stated in
Brominated polyacetylenic acids from the marine sponge Xestospongia muta: inhibitors of HIV protease
Identifiers
InChI
InChI=1S/C18H21BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h4,6-7,9,15,17H,1-3,5,12,14,16H2,(H,20,21)/b6-4+,9-7+,17-15+
0 references
InChIKey
XQBBTNXASWDRIQ-XEFVWHOUSA-N
0 references
PubChem CID
23427353
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XQBBTNXASWDRIQ-XEFVWHOUSA-N
UniChem compound ID
56337
1 reference
stated in
UniChem
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