| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:41:10 UTC |
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| Update Date | 2025-03-21 18:48:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00160037 |
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| Frequency | 28.6 |
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| Structure | |
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| Chemical Formula | C15H11NO2 |
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| Molecular Mass | 237.079 |
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| SMILES | O=C1NC(c2ccccc2)C(=O)c2ccccc21 |
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| InChI Key | SFTNFPMEUIKAKN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | isoquinolines and derivatives |
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| Subclass | 1,4-isoquinolinediones |
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| Direct Parent | 1,4-isoquinolinediones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativeshydrocarbon derivativesisoquinolones and derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssecondary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | monocyclic benzene moietylactamaryl alkyl ketoneazacyclecarboxamide groupcarboxylic acid derivativeketonesecondary carboxylic acid amideorganic oxide2,3-dihydroisoquinoline-1,4-dioneorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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