| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:04 UTC |
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| Update Date | 2025-03-25 00:54:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208264 |
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| Frequency | 0.5 |
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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(CCCC(=O)c1ccccc1N)C(=O)O |
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| InChI Key | XYDQYOOYPPRWTK-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 derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmethyl-branched 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 acidbenzoylfatty acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidvinylogous amidemethyl-branched fatty acidamino fatty acidbranched fatty acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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