| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:53 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180534 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N2O3+ |
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| Molecular Mass | 251.139 |
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| SMILES | C[N+](C)(C)CCC(=O)Nc1ccccc1C(=O)O |
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| InChI Key | RBWZMVORSDGJGC-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 | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaminesanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidestetraalkylammonium saltsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidbenzoyln-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic cationbenzoic acidorganic saltvinylogous amideacylaminobenzoic acid or derivativestetraalkylammonium saltquaternary ammonium saltcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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