| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:54 UTC |
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| Update Date | 2025-03-25 00:46:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153244 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO5 |
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| Molecular Mass | 225.0637 |
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| SMILES | NC(=O)CCC(=O)c1c(O)cc(O)cc1O |
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| InChI Key | USHYXAMOYWBVAP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacylphloroglucinols and derivativesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acids and derivativesfatty amideshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous acids |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietyaryl alkyl ketonefatty amidebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephloroglucinol derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacylphloroglucinol derivativebenzenetriol1-hydroxy-4-unsubstituted benzenoidcarboxamide groupbutyrophenonearomatic homomonocyclic compoundvinylogous acidphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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