| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:31 UTC |
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| Update Date | 2025-03-25 00:55:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214138 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14NO3+ |
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| Molecular Mass | 208.0968 |
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| SMILES | CCCC[N+](=O)c1ccccc1C(=O)O |
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| InChI Key | LVPZFDLCUBJECS-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 compoundsaminoxidesbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaminoxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundorganic cationorganic oxoazaniumbenzoic acidorganooxygen compound |
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