| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:54 UTC |
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| Update Date | 2025-03-21 18:00:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026439 |
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| Frequency | 144.7 |
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| Structure | |
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| Chemical Formula | C11H12N2O5 |
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| Molecular Mass | 252.0746 |
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| SMILES | CC(=O)Nc1ccc(O)c(C(=O)NCC(=O)O)c1 |
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| InChI Key | SCRNHTMXGNTYTD-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesacetanilidesacylaminobenzoic acid and derivativesalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssalicylamidessecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidn-acetylarylaminebenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidebenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideacylaminobenzoic acid or derivativesacetanilidehippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinesalicylamidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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