| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:29 UTC |
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| Update Date | 2025-03-21 18:37:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116364 |
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| Frequency | 22.6 |
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| Structure | |
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| Chemical Formula | C10H12N2O |
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| Molecular Mass | 176.095 |
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| SMILES | CNC1CNC(=O)c2ccccc21 |
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| InChI Key | KMCQTRPYGREYRK-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 | amino acids and derivativesazacyclic compoundsbenzenoidscarboxylic acids and derivativesdialkylamineshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | secondary aliphatic aminelactamazacycleamino acid or derivativessecondary aminecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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