| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:18 UTC |
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| Update Date | 2025-03-21 17:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018221 |
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| Frequency | 258.9 |
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| Structure | |
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| Chemical Formula | C9H9NO |
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| Molecular Mass | 147.0684 |
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| SMILES | O=C1Cc2ccccc2CN1 |
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| InChI Key | MGZGPQCRWVOGFE-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 compoundssecondary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | carbonyl grouplactamazacyclecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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