| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:12 UTC |
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| Update Date | 2025-03-21 18:03:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043847 |
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| Frequency | 77.4 |
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| Structure | |
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| Chemical Formula | C9H12N2O3 |
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| Molecular Mass | 196.0848 |
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| SMILES | NCc1[nH]cc(CC=O)c1CC(=O)O |
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| InChI Key | CSRNCONZGVJTPM-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 | heteroaromatic compounds |
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| Subclass | heteroaromatic compounds |
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| Direct Parent | heteroaromatic compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesazacyclic compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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