| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:48 UTC |
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| Update Date | 2025-03-25 00:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178093 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO5 |
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| Molecular Mass | 251.0794 |
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| SMILES | COC(=O)c1ccc(C(=O)CC(N)C(=O)O)cc1 |
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| InChI Key | BTLLTRPWYHEFDX-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 | alpha amino acidsaryl alkyl ketonesbenzoic acid estersbenzoyl derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesmethyl estersmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylbenzoate esteralpha-amino acid or derivativescarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acid or derivativesgamma-keto acidbutyrophenonearomatic homomonocyclic compoundketo acidcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketone |
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