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(Q106654061)
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English
Wine lactone
chemical compound
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Statements
instance of
group of isomeric entities
0 references
subclass of
chemical compound
0 references
mass
166.2173
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₄O₂
0 references
canonical SMILES
CC1C2CCC(=CC2OC1=O)C
0 references
Identifiers
InChI
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H
0 references
InChIKey
NQWBFQXRASPNLB-UHFFFAOYSA-N
0 references
CAS Registry Number
57743-63-2
1 reference
stated in
CAS Common Chemistry
retrieved
14 May 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=57743-63-2
InChIKey
NQWBFQXRASPNLB-UHFFFAOYSA-N
PubChem CID
6427076
0 references
UniChem compound ID
32016809
1 reference
stated in
UniChem
FL number
10.057
1 reference
stated in
EFSA database
FL number
10.057
quotation
CAS no.: 57743-63-2
(English)
retrieved
30 April 2021
Human Metabolome Database ID
HMDB0029691
1 reference
based on heuristic
inferred from InChIKey
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