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(Q105377865)
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credneric acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
0 references
mass
216.091707464
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₇ClO₂
0 references
canonical SMILES
O=C(O)CCC=CCC(=CCl)CCC
0 references
isomeric SMILES
CCC/C(=C\Cl)C/C=C/CCC(=O)O
1 reference
based on heuristic
inferred from InChI
found in taxon
Trichodesmium
2 references
stated in
Credneramides A and B: neuromodulatory phenethylamine and isopentylamine derivatives of a vinyl chloride-containing fatty acid from cf. Trichodesmium sp. nov.
stated in
Credneramides A and B: neuromodulatory phenethylamine and isopentylamine derivatives of a vinyl chloride-containing fatty acid from cf. Trichodesmium sp. nov.
Identifiers
InChI
InChI=1S/C11H17ClO2/c1-2-6-10(9-12)7-4-3-5-8-11(13)14/h3-4,9H,2,5-8H2,1H3,(H,13,14)/b4-3+,10-9+
0 references
InChIKey
ZJFPTXMXZZTODX-SCPMJEMWSA-N
0 references
PubChem CID
57345663
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZJFPTXMXZZTODX-SCPMJEMWSA-N
ChEBI ID
208158
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H17ClO2/c1-2-6-10(9-12)7-4-3-5-8-11(13)14/h3-4,9H,2,5-8H2,1H3,(H,13,14)/b4-3+,10-9+
UniChem compound ID
27234205
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA018129
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZJFPTXMXZZTODX-SCPMJEMWSA-N
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