| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:18 UTC |
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| Update Date | 2025-03-25 00:52:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195023 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16NO3+ |
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| Molecular Mass | 222.1125 |
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| SMILES | CCCCC[N+](=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | XXGYZQFCQZDPBK-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminoxidesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | carboxylic acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaminoxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic oxoazaniumbenzoic acidorganooxygen compound |
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