| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:06 UTC |
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| Update Date | 2025-03-25 01:00:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242646 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O5 |
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| Molecular Mass | 292.1059 |
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| SMILES | CC(=O)NC(CC(=O)O)C(=O)CC(=O)c1ccccc1N |
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| InChI Key | YDHZXGGLHCHBMF-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 | acetamidesamino acidsamino fatty acidsaryl alkyl ketonesbenzoyl derivativesbeta amino acids and derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylbutylaminesprimary aminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundacetamidevinylogous amidecarboxamide groupamino fatty acidbeta amino acid or derivativesgamma-keto acidbutyrophenonearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketonemedium-chain keto acid |
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