| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:37 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186777 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O6 |
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| Molecular Mass | 282.0852 |
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| SMILES | Nc1ccccc1C(=O)NC(CC(=O)O)C(O)C(=O)O |
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| InChI Key | GBKWXVZLGRBIGZ-UHFFFAOYSA-N |
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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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidalpha-hydroxy acidbenzoylmonosaccharidebenzamidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidebenzoic acid or derivativeshydroxy acidcarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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