| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:56 UTC |
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| Update Date | 2025-03-21 18:00:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026515 |
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| Frequency | 144.2 |
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| Structure | |
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| Chemical Formula | C13H17NO3 |
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| Molecular Mass | 235.1208 |
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| SMILES | CC(=O)Nc1ccccc1C(=O)OCC(C)C |
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| InChI Key | QLPQXRQRJPFTFU-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 | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesacetanilidesbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupn-acetylarylaminebenzoyln-arylamidebenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidevinylogous amideacylaminobenzoic acid or derivativesacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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