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(Q110193543)
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English
4-Hydroxy-4-(5-hydroxy-2-methylhexan-2-yl)-3-methylcyclopent-2-en-1-one
group of stereoisomers with the chemical formula C₁₃H₂₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
226.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₂O₃
0 references
canonical SMILES
O=C1C=C(C)C(O)(C1)C(C)(C)CCC(O)C
0 references
found in taxon
Aphanamixis polystachya
1 reference
stated in
Chemical constituents from Aphanamixis grandifolia
Aphanamixis grandifolia
1 reference
stated in
Chemical constituents from Aphanamixis grandifolia
Identifiers
InChI
InChI=1S/C13H22O3/c1-9-7-11(15)8-13(9,16)12(3,4)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3
0 references
InChIKey
WBBFALIHLDNIJV-UHFFFAOYSA-N
0 references
PubChem CID
75282220
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WBBFALIHLDNIJV-UHFFFAOYSA-N
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