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(Q105147521)
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English
4-[(2R)-6-methyl-4-oxohept-5-en-2-yl]benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(6-methyl-4-oxohept-5-en-2-yl)benzoic acid
1 reference
based on heuristic
inferred from SMILES
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
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
isomeric SMILES
CC(C)=CC(=O)C[C@@H](C)c1ccc(C(=O)O)cc1
0 references
found in taxon
Bridelia retusa
1 reference
stated in
Antifungal constituents of the stem bark of Bridelia retusa
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)/t11-/m1/s1
0 references
InChIKey
KXTXCSBHGZDHPM-LLVKDONJSA-N
0 references
PubChem CID
5316896
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KXTXCSBHGZDHPM-LLVKDONJSA-N
UniChem compound ID
34092606
1 reference
stated in
UniChem
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