| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:16:13 UTC |
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| Update Date | 2025-03-24 21:06:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01672934 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H7NO2 |
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| Molecular Mass | 125.0477 |
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| SMILES | O=C(O)C1=CC2CC2N1 |
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| InChI Key | ICPGOLRRFKCCBC-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrroline 2-carboxylic acidstetrahydropyridines |
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| Substituents | carbonyl groupcarboxylic acidamino acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacyclepyrroline carboxylic acid or derivativestetrahydropyridinesecondary aminepyrroline 2-carboxylic acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrroline carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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