| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:30 UTC |
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| Update Date | 2025-03-25 01:01:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248251 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO6 |
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| Molecular Mass | 265.0586 |
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| SMILES | NC(=O)Cc1ccc(OC(=O)CC(=O)C(=O)O)cc1 |
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| InChI Key | QRATVRVCGMLQFZ-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesbeta-keto acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylacetamidesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundphenylacetamidecarboxamide grouparomatic homomonocyclic compoundfatty acid esterorganic oxygen compoundketo acidcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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