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(Q104972927)
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English
(1S,4S,5R,7R)-4-hydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-Hydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
1 reference
based on heuristic
inferred from SMILES
mass
234.089208928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₄O₄
0 references
canonical SMILES
O=C1OC2CC(OC(C2)C1O)C=3C=CC=CC3
0 references
isomeric SMILES
O=C1O[C@H]2C[C@H](c3ccccc3)O[C@H](C2)[C@@H]1O
0 references
found in taxon
Goniothalamus wightii
1 reference
stated in
ChemInform Abstract: Pypyrones from Goniothalamus wightii, Hook. f. and Thoms., Annonaceae.
Identifiers
InChI
InChI=1S/C13H14O4/c14-12-11-7-9(16-13(12)15)6-10(17-11)8-4-2-1-3-5-8/h1-5,9-12,14H,6-7H2/t9-,10+,11+,12-/m0/s1
0 references
InChIKey
CZNUNTJCOFEAPI-QCNOEVLYSA-N
0 references
PubChem CID
163098676
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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