| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:12 UTC |
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| Update Date | 2025-03-21 18:31:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086586 |
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| Frequency | 32.9 |
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| Structure | |
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| Chemical Formula | C14H21N3O3 |
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| Molecular Mass | 279.1583 |
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| SMILES | O=C(c1cccnc1)N1CCN(CCOCCO)CC1 |
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| InChI Key | QXSBMSMHSCLPRY-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 heteromonocyclic compounds |
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| Alternative Parents | alcohols and polyolsamino acids and derivativesazacyclic compoundscarboxylic acids and derivativesdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesn-alkylpiperazinesorganic oxidesorganopnictogen compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | pyridine carboxylic acid or derivativesetheraromatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativedialkyl etherorganic oxidepiperazinetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundtertiary aminealcoholazacyclen-alkylpiperazineheteroaromatic compoundtertiary aliphatic aminehydroxypyridinecarboxamide grouporganic oxygen compound1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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