| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:58 UTC |
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| Update Date | 2025-03-25 00:46:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155776 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N2O5+ |
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| Molecular Mass | 295.1288 |
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| SMILES | C[N+](C)(C)C(CC(=O)O)C(=O)Nc1ccc(C(=O)O)cc1 |
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| InChI Key | JUKCVTXBORELSM-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acylaminobenzoic acid and derivativesalpha amino acid amidesalpha amino acidsaminesanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesn-arylamidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidebenzoyln-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationbenzoic acidorganic saltacylaminobenzoic acid or derivativesalpha-amino acid amidetetraalkylammonium saltquaternary ammonium saltbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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