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(Q115948322)
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English
1(10),11-Eremophiladiene-2,9-dione
group of stereoisomers with the chemical formula C₁₅H₂₀O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
eremophilane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
232.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₂
0 references
canonical SMILES
O=C1C=C2C(=O)CC(C(=C)C)CC2(C)C(C)C1
0 references
found in taxon
Citrus × paradisi
1 reference
stated in
Further Investigation of Grapefruit Juice Flavor Components (Citrus paradisi MACFAYDEN). Valencane- and Eudesmane-type Sesquiterpene Ketones
Identifiers
InChI
InChI=1S/C15H20O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h7,10-11H,1,5-6,8H2,2-4H3
0 references
InChIKey
CEDQTRQWBOXWOT-UHFFFAOYSA-N
0 references
PubChem CID
131751741
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CEDQTRQWBOXWOT-UHFFFAOYSA-N
UniChem compound ID
31999304
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035412
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CEDQTRQWBOXWOT-UHFFFAOYSA-N
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