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(Q82116243)
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English
2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
megastigmane
1 reference
based on heuristic
inferred from SMILES
mass
208.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₀O₂
0 references
canonical SMILES
CC1=C(C(CCC1=O)(C)C)CCC(=O)C
0 references
found in taxon
Phormidium
1 reference
stated in
Off-flavours in water: hydroxyketones andβ-ionone derivatives as new odour compounds of freshwater cyanobacteria
Identifiers
InChI
InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-8H2,1-4H3
0 references
InChIKey
QUHPCHDTFDSTTL-UHFFFAOYSA-N
0 references
CAS Registry Number
72008-46-9
0 references
PubChem CID
596567
1 reference
matched by identifier from
InChIKey
InChIKey
QUHPCHDTFDSTTL-UHFFFAOYSA-N
ChEBI ID
211734
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-8H2,1-4H3
UniChem compound ID
45191343
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60344396
1 reference
matched by identifier from
InChIKey
InChIKey
QUHPCHDTFDSTTL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20295471
0 references
Natural Product Atlas ID
NPA031256
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QUHPCHDTFDSTTL-UHFFFAOYSA-N
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