(Q104253294)

English

3-methylbutyrolactone

group of stereoisomers with the chemical formula C₅H₈O₂

In more languages

Statements

group of stereoisomers

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chemical compound

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100.052429496 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅H₈O₂

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canonical SMILES

O=C1OCCC1C

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1 reference

New volatile components of roasted coffee

Nicotiana tabacum

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Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves

Identifiers

InChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3

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QGLBZNZGBLRJGS-UHFFFAOYSA-N

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

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26 December 2021

matched by identifier from

QGLBZNZGBLRJGS-UHFFFAOYSA-N

mapping relation type

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ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3

UniChem compound ID

1 reference

NMRShiftDB structure ID

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matched by identifier from

QGLBZNZGBLRJGS-UHFFFAOYSA-N

DSSTox substance ID

DTXSID401030919

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matched by identifier from

QGLBZNZGBLRJGS-UHFFFAOYSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

QGLBZNZGBLRJGS-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

QGLBZNZGBLRJGS-UHFFFAOYSA-N

1 reference

matched by identifier from

QGLBZNZGBLRJGS-UHFFFAOYSA-N

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