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(Q82885674)
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English
1,2,3,4-Tetrahydro-1,3-bis(hydroxymethyl)-8-hydroxy-6-methyl-7-methoxyisoquinoline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
253.131408088
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₁₉NO₄
0 references
canonical SMILES
COc1c(C)cc2c(c1O)C(CO)NC(CO)C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CC2=C([C@H](N[C@H](C2)CO)CO)C(=C1OC)O
0 references
found in taxon
Streptomyces
1 reference
stated in
MY336-a, a novel beta-adrenergic receptor antagonist produced by Streptomyces gabonae.
Identifiers
InChI
InChI=1S/C13H19NO4/c1-7-3-8-4-9(5-15)14-10(6-16)11(8)12(17)13(7)18-2/h3,9-10,14-17H,4-6H2,1-2H3/t9-,10-/m1/s1
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InChIKey
YZJBKEBOMYOVHX-NXEZZACHSA-N
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CAS Registry Number
95727-08-5
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PubChem CID
125726
1 reference
matched by identifier from
InChIKey
InChIKey
YZJBKEBOMYOVHX-NXEZZACHSA-N
UniChem compound ID
32028864
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60914836
1 reference
matched by identifier from
InChIKey
InChIKey
YZJBKEBOMYOVHX-NXEZZACHSA-N
DSSTOX compound identifier
DTXCID701343822
0 references
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