| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:33:51 UTC |
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| Update Date | 2025-03-21 22:50:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00565600 |
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| Frequency | 2.9 |
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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)C1C2C=CC1N2 |
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| InChI Key | KDTHTYSATDUZIW-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 | azetidines |
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| Subclass | azetidinecarboxylic acids or derivatives |
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| Direct Parent | azetidinecarboxylic acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsazetidinescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolines |
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| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidazetidinecarboxylic acidsecondary aminecarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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