RefMet Compound Details

MW structure42711 (View MW Metabolite Database details)
RefMet nameHydromorphone
Systematic name(1S,5R,13R,17R)-10-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
SMILESCN1CC[C@@]23[C@@H]4Oc5c(O)ccc(C[C@H]1[C@H]2CCC4=O)c35
Sum CompositionHydromorphone View other entries in RefMet with this sum composition
Exact mass285.136494 (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
FormulaC17H19NO3View other entries in RefMet with this formula
InChIInChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1
InChIKeyWVLOADHCBXTIJK-YNHQPCIGSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassAromatic heteropolycyclic compounds
Sub ClassMorphinans
Pubchem CID5284570
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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