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(Q82244573)
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Benzyl Alcohol Glucuronide
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
284.089602852
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₁₆O₇
0 references
canonical SMILES
O=C(O)C1OC(OCc2ccccc2)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
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Identifiers
InChI
InChI=1S/C13H16O7/c14-8-9(15)11(12(17)18)20-13(10(8)16)19-6-7-4-2-1-3-5-7/h1-5,8-11,13-16H,6H2,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1
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InChIKey
UDTQUOJQGJBORK-XPORZQOISA-N
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CAS Registry Number
5285-02-9
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PubChem CID
9795797
1 reference
matched by identifier from
InChIKey
InChIKey
UDTQUOJQGJBORK-XPORZQOISA-N
UniChem compound ID
26318942
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80430846
1 reference
matched by identifier from
InChIKey
InChIKey
UDTQUOJQGJBORK-XPORZQOISA-N
DSSTOX compound identifier
DTXCID50381679
0 references
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