| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:03 UTC |
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| Update Date | 2025-03-21 18:06:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064641 |
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| Frequency | 47.5 |
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| Structure | |
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| Chemical Formula | C11H16NO2+ |
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| Molecular Mass | 194.1176 |
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| SMILES | C[N+](C)(C)Cc1ccccc1C(=O)O |
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| InChI Key | NRYHAHBAWCCAHQ-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 | 1-carboxy-2-haloaromatic compoundsaralkylaminesbenzoyl derivativesbenzylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundsphenylmethylaminestetraalkylammonium salts |
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| Substituents | carboxylic acidbenzoylcarboxylic acid derivativearalkylamineorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic cationbenzoic acidorganic salttetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylmethylamineorganic oxygen compoundbenzylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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