| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:02 UTC |
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| Update Date | 2025-03-25 00:48:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167152 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10NO3+ |
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| Molecular Mass | 180.0655 |
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| SMILES | CC(C(=O)O)[N+](=O)c1ccccc1 |
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| InChI Key | FATCRVZQXHVLLT-UHFFFAOYSA-O |
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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 | alanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminoxidesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaminoxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic oxoazaniumorganooxygen compound |
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