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(Q105136892)
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English
1-[(2S)-2,3-Dihydro-5-hydroxy-2-(1-methylethenyl)-6-benzofuranyl]ethanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-[5-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethanone
1 reference
based on heuristic
inferred from SMILES
mass
218.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₄O₃
0 references
canonical SMILES
O=C(C=1C=C2OC(C(=C)C)CC2=CC1O)C
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isomeric SMILES
C=C(C)[C@@H]1Cc2cc(O)c(C(C)=O)cc2O1
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found in taxon
Baccharis calvescens
1 reference
stated in
Five diterpenes and other constituents from nine Baccharis species
Microglossa pyrifolia
1 reference
stated in
New dihydrobenzofurans and triterpenoids from roots of Microglossa pyrifolia
Trichocline reptans
1 reference
stated in
Phytotoxic Activity of a Benzofuran Isolated from Trichocline reptans
Identifiers
InChI
InChI=1S/C13H14O3/c1-7(2)12-5-9-4-11(15)10(8(3)14)6-13(9)16-12/h4,6,12,15H,1,5H2,2-3H3/t12-/m0/s1
0 references
InChIKey
JYAXBEAUMFLFQK-LBPRGKRZSA-N
0 references
CAS Registry Number
617722-58-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
131397201
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
DSSTox substance ID
DTXSID401147091
1 reference
matched by identifier from
InChIKey
InChIKey
JYAXBEAUMFLFQK-LBPRGKRZSA-N
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