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(Q83008514)
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Epinine 4-O-sulfate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
247.051443516
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₃NO₅S
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canonical SMILES
CNCCC1=CC(=C(C=C1)OS(=O)(=O)O)O
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Identifiers
InChI
InChI=1S/C9H13NO5S/c1-10-5-4-7-2-3-9(8(11)6-7)15-16(12,13)14/h2-3,6,10-11H,4-5H2,1H3,(H,12,13,14)
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InChIKey
MFXXSSJHUUFWLX-UHFFFAOYSA-N
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CAS Registry Number
101910-86-5
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PubChem CID
127992
1 reference
matched by identifier from
InChIKey
InChIKey
MFXXSSJHUUFWLX-UHFFFAOYSA-N
UniChem compound ID
45660246
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10144328
1 reference
matched by identifier from
InChIKey
InChIKey
MFXXSSJHUUFWLX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID1066819
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