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(Q83076886)
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Epinephrine glucuronide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
359.12163125199993
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₂₁NO₉
0 references
canonical SMILES
CNCC(O)C1(O)C(C(=O)O)OC(Oc2ccccc2)C(O)(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CNC[C@H]([C@]1([C@H](O[C@H](C([C@H]1O)(O)O)OC2=CC=CC=C2)C(=O)O)O)O
0 references
Identifiers
InChI
InChI=1S/C15H21NO9/c1-16-7-9(17)14(21)10(11(18)19)25-13(15(22,23)12(14)20)24-8-5-3-2-4-6-8/h2-6,9-10,12-13,16-17,20-23H,7H2,1H3,(H,18,19)/t9-,10-,12+,13-,14-/m1/s1
0 references
InChIKey
BQSRWNRFUSHYFP-IGJDLRFWSA-N
0 references
CAS Registry Number
54964-61-3
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PubChem CID
171394
0 references
UniChem compound ID
63037975
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40203492
0 references
DSSTOX compound identifier
DTXCID40125983
0 references
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