| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:42 UTC |
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| Update Date | 2025-03-21 18:34:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102252 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C18H20N2O4 |
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| Molecular Mass | 328.1423 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C(C)=O)c(CCC(=O)O)c1C |
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| InChI Key | AUHSDVCQLGEQOS-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 | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | lactamcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativespyrrolinepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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