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(Q105150539)
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English
(E)-3-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic benzofuran
0 references
mass
232.109944372
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₆O₃
0 references
canonical SMILES
O=CC=CC1=CC=C2OC(CC2=C1)C(O)(C)C
0 references
isomeric SMILES
CC(C)(O)[C@@H]1Cc2cc(/C=C/C=O)ccc2O1
0 references
found in taxon
Zanthoxylum wutaiense
1 reference
stated in
Secondary metabolites from the root wood of Zanthoxylum wutaiense and their antitubercular activity
Identifiers
InChI
InChI=1S/C14H16O3/c1-14(2,16)13-9-11-8-10(4-3-7-15)5-6-12(11)17-13/h3-8,13,16H,9H2,1-2H3/b4-3+/t13-/m0/s1
0 references
InChIKey
LEFHHOBVSOTJCX-OOPCZODUSA-N
0 references
PubChem CID
53240368
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
LEFHHOBVSOTJCX-OOPCZODUSA-N
UniChem compound ID
32081398
1 reference
stated in
UniChem
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