RefMet Compound Details

RefMet IDRM0108717
MW structure49694 (View MW Metabolite Database details)
RefMet nameSalsolinol   Species distribution   Sample source distribution
Systematic name(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SMILESC[C@H]1c2cc(c(cc2CCN1)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass179.094629 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC10H13NO2View other entries in RefMet with this formula
InChIInChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1
InChIKeyIBRKLUSXDYATLG-LURJTMIESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTyrosine alkaloids
Sub ClassIsoquinoline alkaloids
Pubchem CID91588
ChEBI ID113
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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