| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:00 UTC |
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| Update Date | 2025-03-21 18:03:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043343 |
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| Frequency | 78.4 |
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| Structure | |
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| Chemical Formula | C11H17NO4 |
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| Molecular Mass | 227.1158 |
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| SMILES | CCCC(O)CC=CC(=C=O)NCC(=O)O |
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| InChI Key | KJEVLNDOXHLEMA-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 acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholsynolates |
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| Substituents | alcoholaliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidsecondary amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolateorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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