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(Q82667431)
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English
(2,2,3-Trimethyl-4-oxocyclopentyl)acetic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
184.2326
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₆O₃
0 references
canonical SMILES
O=C(O)CC1CC(=O)C(C)C1(C)C
0 references
Identifiers
InChI
InChI=1S/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h6-7H,4-5H2,1-3H3,(H,12,13)
0 references
InChIKey
VRCGDJCVKWWRME-UHFFFAOYSA-N
0 references
CAS Registry Number
26882-05-3
0 references
PubChem CID
57455196
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
VRCGDJCVKWWRME-UHFFFAOYSA-N
UniChem compound ID
43756148
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90726606
1 reference
matched by identifier from
InChIKey
InChIKey
VRCGDJCVKWWRME-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40677351
0 references
Human Metabolome Database ID
HMDB0301822
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VRCGDJCVKWWRME-UHFFFAOYSA-N
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