| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:08:08 UTC |
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| Update Date | 2025-03-24 14:12:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00790053 |
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| Frequency | 1.9 |
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| Structure | |
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| Chemical Formula | C7H7NO2+ |
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| Molecular Mass | 137.0471 |
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| SMILES | O=C(O)CC1=CC=C[N+]=C1 |
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| InChI Key | NCCYKAPKJQSCAN-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 | carboxylic acids |
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| Direct Parent | carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycleimineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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