(Q72513994)

English

2,2,6-Trimethyl-1,4-cyclohexanedione

chemical compound

1,4-Dioxo-3,3,5-trimethylcyclohexane
2,6,6-Trimethyl-1,4-cyclohexanedione
3,5,5-Trimethyl-1,4-cyclohexanedione
Dihydrooxophorone

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

154.099379688 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₉H₁₄O₂

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canonical SMILES

O=C1CC(C(=O)C(C)(C)C1)C

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found in taxon

Eucalyptus leucoxylon

1 reference

stated in

Composition of Australian Honey Extractives. 1. Norisoprenoids, Monoterpenes, and Other Natural Volatiles from Blue Gum (Eucalyptus leucoxylon) and Yellow Box (Eucalyptus melliodora) Honeys

Eucalyptus melliodora

1 reference

stated in

Composition of Australian Honey Extractives. 1. Norisoprenoids, Monoterpenes, and Other Natural Volatiles from Blue Gum (Eucalyptus leucoxylon) and Yellow Box (Eucalyptus melliodora) Honeys

Identifiers

InChI

InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3

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InChIKey

HVHHZSFNAYSPSA-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

HVHHZSFNAYSPSA-UHFFFAOYSA-N

ChEBI ID

180432

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6H,4-5H2,1-3H3

1 reference

1 reference

matched by identifier from

InChIKey

HVHHZSFNAYSPSA-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID201371117

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Human Metabolome Database ID

HMDB0038697

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HVHHZSFNAYSPSA-UHFFFAOYSA-N

(Q72513994)

2,2,6-Trimethyl-1,4-cyclohexanedione

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