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(Q105134837)
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English
(2S,3S,5Z,7Z)-3-chloro-2-[(Z)-pent-2-en-4-ynyl]-8-propyl-3,4-dihydro-2H-oxocine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-chloro-2-pent-2-en-4-ynyl-8-propyl-3,4-dihydro-2H-oxocine
1 reference
based on heuristic
inferred from SMILES
mass
250.112442908
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R,3R,5Z,7Z)-3-chloro-2-[(Z)-pent-2-en-4-ynyl]-8-propyl-3,4-dihydro-2H-oxocine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₉ClO
0 references
canonical SMILES
ClC1CC=CC=C(OC1CC=CC#C)CCC
0 references
isomeric SMILES
C#C/C=C\C[C@@H]1O/C(CCC)=C\C=C/C[C@@H]1Cl
0 references
found in taxon
Aplysia fasciata
1 reference
stated in
Metabolites from the sea hare Aplysia fasciata.
Laurencia venusta
1 reference
stated in
THE STRUCTURES OF (3Z)-EPOXYVENUSTIN, (3Z)-VENUSTIN, AND (3Z)-VENUSTINENE, NEW HALOGENATED C15-NONTERPENOIDS FROM THE RED ALGALAURENCIA VENUSTAYAMADA
Identifiers
InChI
InChI=1S/C15H19ClO/c1-3-5-6-12-15-14(16)11-8-7-10-13(17-15)9-4-2/h1,5-8,10,14-15H,4,9,11-12H2,2H3/b6-5-,8-7-,13-10-/t14-,15-/m0/s1
0 references
InChIKey
JTLGNRGWXKSSOM-NRGGLLKFSA-N
0 references
PubChem CID
23426793
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JTLGNRGWXKSSOM-NRGGLLKFSA-N
UniChem compound ID
49685381
1 reference
stated in
UniChem
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