| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:28 UTC |
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| Update Date | 2025-03-25 00:59:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238866 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O4 |
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| Molecular Mass | 250.0954 |
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| SMILES | O=CNc1ccccc1C(=O)CCNCC(=O)O |
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| InChI Key | XVXLKOATBFBERI-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 acidsamino acidsanilidesaryl alkyl ketonesbenzoyl derivativescarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoyln-arylamidealpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidesecondary aliphatic aminesecondary aminecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneamine |
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