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(Q110204290)
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English
3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl)-
group of stereoisomers with the chemical formula C₁₄H₂₂O
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Statements
instance of
group of stereoisomers
0 references
subclass of
irone
0 references
mass
206.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₂O
0 references
canonical SMILES
O=C(C=CC1=C(C)CCC(C)C1(C)C)C
0 references
found in taxon
Mangifera indica
1 reference
stated in
Volatile components from mango (Mangifera indica L.) cultivars
Identifiers
InChI
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11H,6-7H2,1-5H3
0 references
InChIKey
BGKCUGPVLVNPSG-UHFFFAOYSA-N
0 references
CAS Registry Number
79-70-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
101539
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
25615805
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0246948
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BGKCUGPVLVNPSG-UHFFFAOYSA-N
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