| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:48 UTC |
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| Update Date | 2025-03-25 00:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N3O |
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| Molecular Mass | 203.1059 |
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| SMILES | O=C(c1cccnc1)N1CC2CNC2C1 |
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| InChI Key | VRJFBYNCLSOARH-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 | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepanesamino acids and derivativesazacyclic compoundsazetidinescarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesn-acylpyrrolidinesorganic oxidesorganooxygen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivatives1,4-diazepaneamino acid or derivativesn-acylpyrrolidinediazepanecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidinesecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide groupazetidineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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