(Q105134837)

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

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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

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canonical SMILES

ClC1CC=CC=C(OC1CC=CC#C)CCC

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isomeric SMILES

C#C/C=C\C[C@@H]1O/C(CCC)=C\C=C/C[C@@H]1Cl

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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

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InChIKey

JTLGNRGWXKSSOM-NRGGLLKFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JTLGNRGWXKSSOM-NRGGLLKFSA-N

1 reference

(Q105134837)

(2S,3S,5Z,7Z)-3-chloro-2-[(Z)-pent-2-en-4-ynyl]-8-propyl-3,4-dihydro-2H-oxocine

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