RefMet Compound Details

MW structure38412 (View MW Metabolite Database details)
RefMet nameProtopine
Systematic name15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.0^{4,12}.0^{6,10}.0^{18,22}]tetracosa-1(24),4(12),5,10,17,22-hexaen-3-one
SMILESCN1Cc2c3OCOc3ccc2CC(=O)c2cc3OCOc3cc2CC1
Exact mass353.126324 (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
FormulaC20H19NO5View other entries in RefMet with this formula
InChIInChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3
InChIKeyGPTFURBXHJWNHR-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassAromatic heteropolycyclic compounds
Sub ClassProtopine alkaloids
Pubchem CID4970
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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