| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:00 UTC |
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| Update Date | 2025-03-25 00:47:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160182 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O5 |
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| Molecular Mass | 266.0903 |
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| SMILES | Nc1ccccc1C(=O)NC(=O)CCC(O)C(=O)O |
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| InChI Key | NGJFAEFVYHHOHD-UHFFFAOYSA-N |
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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 and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboximideshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidbenzoylmonosaccharidecarboxylic acid derivativecarboxylic acid imide, n-unsubstitutedsaccharideorganic oxideorganonitrogen compoundorganopnictogen compounddicarboximidealcoholvinylogous amidebenzoic acid or derivativeshydroxy acidn-acyl-aminecarboxylic acid imidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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