| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:48 UTC |
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| Update Date | 2025-03-21 17:58:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012714 |
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| Frequency | 355.8 |
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| Structure | |
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| Chemical Formula | C10H12N2O2 |
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| Molecular Mass | 192.0899 |
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| SMILES | O=C(O)C1CCC(c2cccnc2)N1 |
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| InChI Key | XNFSAICMYCRAOX-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidspyrrolidinylpyridines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrrolidinylpyridineorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic amineazacycleheteroaromatic compoundhydroxypyridinesecondary aminemonocarboxylic acid or derivativespyridinepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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