| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:54 UTC |
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| Update Date | 2025-03-21 18:07:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069109 |
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| Frequency | 43.7 |
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| Structure | |
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| Chemical Formula | C10H14NO2+ |
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| Molecular Mass | 180.1019 |
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| SMILES | C[N+](C)(C)c1ccc(C(=O)O)cc1 |
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| InChI Key | XPULRSZBSCQUTI-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 | aminobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminesaniline and substituted anilinesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundsquaternary ammonium salts |
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| Substituents | carboxylic acidaniline or substituted anilinesquaternary ammonium saltbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationbenzoic acidorganic saltaminobenzoic acid or derivativesamineorganooxygen compound |
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