| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:50 UTC |
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| Update Date | 2025-03-25 00:57:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224091 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O2 |
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| Molecular Mass | 180.0899 |
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| SMILES | O=C(Cc1ccccn1)NCCO |
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| InChI Key | ZMSNSHZECDMQEK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | n-acylethanolamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalcohols and polyolsalkanolaminesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | alcoholcarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupn-acylethanolaminecarboxylic acid derivativesecondary carboxylic acid amideorganic oxidepyridineorganic oxygen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganoheterocyclic compoundorganooxygen compound |
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