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(Q105004152)
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English
6-[(E,4S)-4-hydroxypent-2-en-2-yl]-4-methoxy-3-methylpyran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-(4-Hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one
1 reference
based on heuristic
inferred from SMILES
Stemphypyrone
1 reference
based on heuristic
inferred from SMILES
mass
224.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆O₄
0 references
canonical SMILES
O=C1OC(=CC(OC)=C1C)C(=CC(O)C)C
0 references
isomeric SMILES
COc1cc(/C(C)=C/[C@H](C)O)oc(=O)c1C
0 references
found in taxon
Mentha pulegium
1 reference
stated in
Bioactive metabolites from the endophytic fungus Stemphylium globuliferum isolated from Mentha pulegium
Stemphylium globuliferum
1 reference
stated in
Bioactive metabolites from the endophytic fungus Stemphylium globuliferum isolated from Mentha pulegium
Identifiers
InChI
InChI=1S/C12H16O4/c1-7(5-8(2)13)10-6-11(15-4)9(3)12(14)16-10/h5-6,8,13H,1-4H3/b7-5+/t8-/m0/s1
0 references
InChIKey
FXQRSXWMFRVMOS-IVGLGHLBSA-N
0 references
PubChem CID
42639813
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FXQRSXWMFRVMOS-IVGLGHLBSA-N
ChEBI ID
222928
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H16O4/c1-7(5-8(2)13)10-6-11(15-4)9(3)12(14)16-10/h5-6,8,13H,1-4H3/b7-5+/t8-/m0/s1
UniChem compound ID
34180243
1 reference
stated in
UniChem
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