| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:03 UTC |
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| Update Date | 2025-03-25 00:51:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185421 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N3O |
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| Molecular Mass | 205.1215 |
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| SMILES | NC(=O)CC1CCC(c2cccnc2)N1 |
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| InChI Key | NLQVIWKLAHLFLQ-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 | pyrrolidinylpyridines |
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| Direct Parent | pyrrolidinylpyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbeta amino acids and derivativescarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespyrrolidines |
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| Substituents | primary carboxylic acid amidesecondary aliphatic aminecarbonyl grouparomatic heteromonocyclic compoundazacycleamino acid or derivativespyrrolidinylpyridineheteroaromatic compoundsecondary aminecarboxamide groupcarboxylic acid derivativebeta amino acid or derivativesorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineorganooxygen compoundamine |
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