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(Q63395786)
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English
No label defined
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
160.14632988
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₂₀O₂
0 references
canonical SMILES
CCCCC(OCC)OCC
0 references
Identifiers
InChI
InChI=1S/C9H20O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-8H2,1-3H3
0 references
InChIKey
XCWKYQWOLSOBCC-UHFFFAOYSA-N
0 references
CAS Registry Number
3658-79-5
1 reference
InChIKey
XCWKYQWOLSOBCC-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=3658-79-5
PubChem CID
77223
1 reference
matched by identifier from
InChIKey
InChIKey
XCWKYQWOLSOBCC-UHFFFAOYSA-N
ChEBI ID
178228
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C9H20O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-8H2,1-3H3
SureChEMBL ID
SCHEMBL1760675
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XCWKYQWOLSOBCC-UHFFFAOYSA-N
UniChem compound ID
16123610
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP008638
0 references
DSSTox substance ID
DTXSID4063117
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
XCWKYQWOLSOBCC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID7039200
0 references
FL number
06.067
1 reference
quotation
CAS no.: 3658-79-5
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
06.067
Human Metabolome Database ID
HMDB0038393
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XCWKYQWOLSOBCC-UHFFFAOYSA-N
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