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(Q106691294)
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English
2-Pentyl-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
C₉H₁₆O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC1COC(=O)CO1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H16O3/c1-2-3-4-5-8-6-12-9(10)7-11-8/h8H,2-7H2,1H3
0 references
InChIKey
AYJJZBHSZOCJJX-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
65504-96-3
0 references
ChEBI ID
171937
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H16O3/c1-2-3-4-5-8-6-12-9(10)7-11-8/h8H,2-7H2,1H3
FL number
13.027
1 reference
stated in
EFSA database
FL number
13.027
quotation
CAS no.: 65504-96-3
(English)
retrieved
3 May 2021
Human Metabolome Database ID
HMDB0059936
1 reference
matched by identifier from
InChIKey
InChIKey
AYJJZBHSZOCJJX-UHFFFAOYSA-N
UNII
1X80PRB9BH
1 reference
matched by identifier from
InChIKey
InChIKey
AYJJZBHSZOCJJX-UHFFFAOYSA-N
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