| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:36 UTC |
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| Update Date | 2025-03-21 18:36:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111787 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C11H16N2O2 |
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| Molecular Mass | 208.1212 |
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| SMILES | CC(N)C(=O)NCC(O)c1ccccc1 |
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| InChI Key | IVSQEPYOAHLVBJ-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupalpha-amino acid amidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundalanine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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