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(Q105178888)
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4-Hydroxytremetone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-[4-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1 reference
based on heuristic
inferred from SMILES
mass
218.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
1-[(2S)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₄O₃
0 references
canonical SMILES
O=C(C1=CC=C2OC(C(=C)C)CC2=C1O)C
0 references
isomeric SMILES
C=C(C)[C@H]1Cc2c(ccc(C(C)=O)c2O)O1
0 references
found in taxon
Tagetes patula
2 references
stated in
Biosynthesis of benzofuran derivatives in root cultures of Tagetes patula via phenylalanine and 1-deoxy-D-xylulose 5-phosphate
stated in
Biosynthesis of benzofuran derivatives in root cultures of Tagetes patula via phenylalanine and 1-deoxy-D-xylulose 5-phosphate
Baccharis
1 reference
stated in
Plant growth inhibitory activity of p-hydroxyacetophenones and tremetones from Chilean endemic Baccharis species and some analogous: a comparative study
Tagetes erecta
1 reference
stated in
Biosynthesis of benzofuran derivatives in root cultures of Tagetes patula via phenylalanine and 1-deoxy-D-xylulose 5-phosphate
Identifiers
InChI
InChI=1S/C13H14O3/c1-7(2)12-6-10-11(16-12)5-4-9(8(3)14)13(10)15/h4-5,12,15H,1,6H2,2-3H3/t12-/m1/s1
0 references
InChIKey
NGFZSKZFASBMBR-GFCCVEGCSA-N
0 references
PubChem CID
76334179
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NGFZSKZFASBMBR-GFCCVEGCSA-N
UniChem compound ID
79980794
1 reference
stated in
UniChem
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