| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:04 UTC |
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| Update Date | 2025-03-21 17:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022171 |
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| Frequency | 179.2 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | CC(=O)OCC(=O)Nc1c(C)cccc1C |
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| InChI Key | GSPFJAOFMBRAFV-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 | anilides |
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| Direct Parent | anilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesm-xylenes |
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| Substituents | carbonyl groupm-xylenen-arylamidecarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundxyleneanilidesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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