| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:08 UTC |
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| Update Date | 2025-03-21 18:06:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062477 |
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| Frequency | 49.6 |
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| Structure | |
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| Chemical Formula | C11H14N2O2 |
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| Molecular Mass | 206.1055 |
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| SMILES | O=C(O)C1CCCC(c2cccnc2)N1 |
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| InChI Key | NXZIWQACGLEDET-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkaloids and derivativesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidineorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundhydroxypyridinesecondary aminemonocarboxylic acid or derivativesalkaloid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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