| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:12 UTC |
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| Update Date | 2025-03-25 00:45:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149250 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO |
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| Molecular Mass | 173.0841 |
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| SMILES | C=C1C(=O)N(C)Cc2ccccc21 |
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| InChI Key | NEUURCWKHXJXHQ-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 | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | carbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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