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(Q82854828)
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English
2(3H)-Furanone, 5-hexyldihydro-4-methyl-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
184.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₂₀O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCC1OC(=O)CC1C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3
0 references
InChIKey
XNRLAEXLQFIKEY-UHFFFAOYSA-N
0 references
CAS Registry Number
67663-01-8
1 reference
InChIKey
XNRLAEXLQFIKEY-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=67663-01-8
PubChem CID
106756
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
XNRLAEXLQFIKEY-UHFFFAOYSA-N
ChEBI ID
171842
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3
SureChEMBL ID
SCHEMBL1773872
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XNRLAEXLQFIKEY-UHFFFAOYSA-N
UniChem compound ID
32022734
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90867301
1 reference
matched by identifier from
InChIKey
InChIKey
XNRLAEXLQFIKEY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00815494
0 references
FL number
10.069
1 reference
quotation
CAS no.: 67663-01-8
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
10.069
Human Metabolome Database ID
HMDB0037309
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XNRLAEXLQFIKEY-UHFFFAOYSA-N
JECFA number
1158
1 reference
stated in
Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)
retrieved
13 May 2021
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