| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:24 UTC |
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| Update Date | 2025-03-21 18:00:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027617 |
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| Frequency | 137.2 |
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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)NCCOC(=O)c1ccccc1O |
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| InChI Key | SPYITMVABIMCHK-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssalicylic acid and derivativessecondary carboxylic acid amidesvinylogous acids |
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| Substituents | carbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamide1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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