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(Q105147522)
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English
4-(6-methyl-4-oxohept-5-en-2-yl)benzoic acid
group of stereoisomers with the chemical formula C₁₅H₁₈O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
bisabolanes
1 reference
inferred from
bisabolanes
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
O=C(O)C1=CC=C(C=C1)C(C)CC(=O)C=C(C)C
0 references
Identifiers
InChI
InChI=1S/C15H18O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h4-8,11H,9H2,1-3H3,(H,17,18)
0 references
InChIKey
KXTXCSBHGZDHPM-UHFFFAOYSA-N
0 references
PubChem CID
78384850
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KXTXCSBHGZDHPM-UHFFFAOYSA-N
UniChem compound ID
83540973
1 reference
stated in
UniChem
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