| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:18 UTC |
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| Update Date | 2025-03-21 18:36:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111071 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C7H9NO3 |
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| Molecular Mass | 155.0582 |
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| SMILES | CC1=CC(=O)CC(C(=O)O)N1 |
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| InChI Key | NTOSYBWLPFVDGM-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidscyclic ketonesdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstetrahydropyridinesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidcyclic ketoneketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic amineazacycletetrahydropyridinesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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