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(Q81987724)
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English
Tetrahydro-5,6-dimethyl-2H-pyran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
128.083729624
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₁₂O₂
0 references
canonical SMILES
O=C1OC(C)C(C)CC1
0 references
found in taxon
Nicotiana tabacum
1 reference
stated in
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
InChI=1S/C7H12O2/c1-5-3-4-7(8)9-6(5)2/h5-6H,3-4H2,1-2H3
0 references
InChIKey
HAXARIVGMMVELD-UHFFFAOYSA-N
0 references
CAS Registry Number
10413-18-0
1 reference
InChIKey
HAXARIVGMMVELD-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=10413-18-0
PubChem CID
544628
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
167917
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C7H12O2/c1-5-3-4-7(8)9-6(5)2/h5-6H,3-4H2,1-2H3
UniChem compound ID
31998949
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30893649
0 references
DSSTOX compound identifier
DTXCID20218660
0 references
FL number
10.168
1 reference
quotation
CAS no.: 10413-18-0
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
10.168
Human Metabolome Database ID
HMDB0031174
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HAXARIVGMMVELD-UHFFFAOYSA-N
KNApSAcK ID
C00058996
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HAXARIVGMMVELD-UHFFFAOYSA-N
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