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(Q105329448)
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English
[(1S,2S,3R,6S)-2-benzoyloxy-3-hydroxy-7-oxabicyclo[4.1.0]hept-4-en-1-yl]methyl benzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(2-Benzoyloxy-3-hydroxy-7-oxabicyclo[4.1.0]hept-4-en-1-yl)methyl benzoate
1 reference
based on heuristic
inferred from SMILES
mass
366.110338296
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₈O₆
0 references
canonical SMILES
O=C(OCC12OC2C=CC(O)C1OC(=O)C=3C=CC=CC3)C=4C=CC=CC4
0 references
isomeric SMILES
O=C(OC[C@]12O[C@H]1C=C[C@@H](O)[C@@H]2OC(=O)c1ccccc1)c1ccccc1
0 references
found in taxon
Uvaria grandiflora
1 reference
stated in
Benzyl benzoates from the root of Uvaria purpurea
Identifiers
InChI
InChI=1S/C21H18O6/c22-16-11-12-17-21(27-17,13-25-19(23)14-7-3-1-4-8-14)18(16)26-20(24)15-9-5-2-6-10-15/h1-12,16-18,22H,13H2/t16-,17+,18+,21+/m1/s1
0 references
InChIKey
XKEJWQTWTQNLFP-WKRCXCSHSA-N
0 references
PubChem CID
163010691
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XKEJWQTWTQNLFP-WKRCXCSHSA-N
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