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(Q63395348)
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English
(R)-α-ionone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
1 reference
based on heuristic
inferred from SMILES
mass
192.15141526
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
[S-(E)]-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₀O
0 references
canonical SMILES
O=C(C=CC1C(=CCCC1(C)C)C)C
0 references
isomeric SMILES
CC1=CCCC([C@H]1/C=C/C(=O)C)(C)C
0 references
found in taxon
Boronia megastigma
1 reference
stated in
Q94992643
Identifiers
InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1
0 references
InChIKey
UZFLPKAIBPNNCA-GUOLPTJISA-N
0 references
CAS Registry Number
24190-29-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5498521
1 reference
matched by identifier from
InChIKey
InChIKey
UZFLPKAIBPNNCA-GUOLPTJISA-N
UniChem compound ID
8722810
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP002591
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP006612
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP007557
0 references
DSSTox substance ID
DTXSID801317981
1 reference
matched by identifier from
InChIKey
InChIKey
UZFLPKAIBPNNCA-GUOLPTJISA-N
Human Metabolome Database ID
HMDB0035753
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UZFLPKAIBPNNCA-GUOLPTJISA-N
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