| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:26 UTC |
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| Update Date | 2025-03-25 00:59:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236572 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O4 |
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| Molecular Mass | 252.111 |
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| SMILES | COc1cccc(C(=O)CCC(N)C(=O)O)c1N |
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| InChI Key | HVFLCFRANIBOQY-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 | alkyl aryl ethersalpha amino acidsamino acidsamino fatty acidsanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylbutylaminesvinylogous amides |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylfatty acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidvinylogous amideamino fatty acidmethoxybenzenebutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesanisolehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
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