(Q105278218)

English

(2E)-3-isopropyl-6-oxohept-2-enoic acid

chemical compound

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Statements

type of chemical entity

0 references

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biogenic acyclic ketone

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184.109944372 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₀H₁₆O₃

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canonical SMILES

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

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isomeric SMILES

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

1 reference

based on heuristic

inferred from InChI

Nicotiana tabacum

1 reference

Volatile acids of sun-cured greek Nicotiana tabacum

Identifiers

InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h6-7H,4-5H2,1-3H3,(H,12,13)/b9-6+

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USIRNZCLLFKXAN-RMKNXTFCSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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