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(Q106691319)
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English
2-Butyl-5 or 6-keto-1,4-dioxane
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
C₈H₁₄O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCC1COC(=O)CO1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H14O3/c1-2-3-4-7-5-11-8(9)6-10-7/h7H,2-6H2,1H3
0 references
InChIKey
DVBUFRRUKPQWBU-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
65504-95-2
0 references
PubChem CID
24847851
1 reference
matched by identifier from
InChIKey
InChIKey
DVBUFRRUKPQWBU-UHFFFAOYSA-N
ChEBI ID
173254
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H14O3/c1-2-3-4-7-5-11-8(9)6-10-7/h7H,2-6H2,1H3
DSSTox substance ID
DTXSID40893796
1 reference
matched by identifier from
InChIKey
InChIKey
DVBUFRRUKPQWBU-UHFFFAOYSA-N
FL number
13.028
1 reference
stated in
EFSA database
FL number
13.028
quotation
CAS no.: 65504-95-2
(English)
retrieved
3 May 2021
Human Metabolome Database ID
HMDB0059938
1 reference
matched by identifier from
InChIKey
InChIKey
DVBUFRRUKPQWBU-UHFFFAOYSA-N
UNII
KP6ZV7PW9A
1 reference
matched by identifier from
InChIKey
InChIKey
DVBUFRRUKPQWBU-UHFFFAOYSA-N
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