| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:43 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237187 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16N2O4 |
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| Molecular Mass | 300.111 |
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| SMILES | O=C(NCC(O)C(=O)O)c1ccccc1Nc1ccccc1 |
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| InChI Key | WOYLKAAZVVLZKO-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcoholssecondary aminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidalpha-hydroxy acidbenzoylmonosaccharidebenzamidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidebenzoic acid or derivativeshydroxy acidsecondary aminecarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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