| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:48 UTC |
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| Update Date | 2025-03-25 00:56:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217055 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO4 |
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| Molecular Mass | 237.1001 |
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| SMILES | NCCCC1(C(=O)O)Cc2ccc(O)cc2O1 |
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| InChI Key | QKNQIBCWWVAWCR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidscoumaranshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheroxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundcoumaranorganooxygen compound |
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