| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:03 UTC |
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| Update Date | 2025-03-25 00:55:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210662 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO4 |
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| Molecular Mass | 235.0845 |
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| SMILES | CC(=O)CC(=O)Oc1ccc(CC(N)=O)cc1 |
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| InChI Key | XSYQAVDXHZZTII-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | beta-keto acids and derivativescarboxylic acid estersfatty acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylacetamidesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidecarboxamide grouparomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundketo acidcarboxylic acid esterphenol esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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