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(Q105154146)
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English
[(1S,5S,6R)-6-benzoyloxy-5-hydroxycyclohex-3-en-1-yl]methyl benzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(6-Benzoyloxy-5-hydroxycyclohex-3-en-1-yl)methyl benzoate
1 reference
based on heuristic
inferred from SMILES
mass
352.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀O₅
0 references
canonical SMILES
O=C(OCC1CC=CC(O)C1OC(=O)C=2C=CC=CC2)C=3C=CC=CC3
0 references
isomeric SMILES
O=C(OC[C@@H]1CC=C[C@H](O)[C@@H]1OC(=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/C21H20O5/c22-18-13-7-12-17(14-25-20(23)15-8-3-1-4-9-15)19(18)26-21(24)16-10-5-2-6-11-16/h1-11,13,17-19,22H,12,14H2/t17-,18-,19+/m0/s1
0 references
InChIKey
LMUFXSQJLXONDZ-GBESFXJTSA-N
0 references
PubChem CID
163049506
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LMUFXSQJLXONDZ-GBESFXJTSA-N
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