| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:35 UTC |
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| Update Date | 2025-03-21 18:32:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092202 |
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| Frequency | 30.4 |
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| Structure | |
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| Chemical Formula | C11H13NO4 |
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| Molecular Mass | 223.0845 |
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| SMILES | CC(=O)NCCC(=O)Oc1ccc(O)cc1 |
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| InChI Key | WSNDIYUVMVSLFP-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 | 1-hydroxy-2-unsubstituted benzenoidsacetamidescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol estersphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxamide groupbeta amino acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundacetamideorganooxygen compound |
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