| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:12 UTC |
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| Update Date | 2025-03-25 01:00:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245269 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | CN1C=CCC=C1C(=O)O |
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| InChI Key | BOZFFDNVTGUKQW-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 compoundscarbonyl compoundscarboxylic acidsdihydropyridinesenamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acidtertiary aliphatic amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compounddihydropyridineaminetertiary amineorganoheterocyclic compoundorganooxygen compoundenamine |
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