| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:50 UTC |
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| Update Date | 2025-03-25 00:46:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155449 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO3 |
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| Molecular Mass | 261.1365 |
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| SMILES | CC(=CCCCC(=O)O)CC(=O)c1ccccc1N |
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| InChI Key | XZXJTFUCHAHZAH-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 | amino acidsamino fatty acidsaryl alkyl ketonesbenzoyl derivativesbranched fatty acidsbutyrophenonescarbocyclic fatty acidscarboxylic acidsfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidvinylogous amideamino fatty acidbranched fatty acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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