(4E)-4,8-dimethylnona-4,7-dien-2-one (Q105153621)

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chemical compound

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Language	Label	Description	Also known as
English	(4E)-4,8-dimethylnona-4,7-dien-2-one	chemical compound

Statements

instance of

type of chemical entity

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subclass of

biogenic acyclic ketone

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mass

166.135765196 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₁H₁₈O

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canonical SMILES

O=C(C)CC(=CCC=C(C)C)C

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isomeric SMILES

CC(=O)C/C(C)=C/CC=C(C)C

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based on heuristic

inferred from InChI

found in taxon

Thymus capitatus

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stated in

Trace constituents in the essential oil of Thymus capitatus

Thymus martinezii

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stated in

Trace constituents in the essential oil of Thymus capitatus

Thymbra capitata

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stated in

Trace constituents in the essential oil of Thymus capitatus

Identifiers

InChI

InChI=1S/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6-7H,5,8H2,1-4H3/b10-7+

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InChIKey

LLPHCJKTUJMQEQ-JXMROGBWSA-N

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