| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:23 UTC |
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| Update Date | 2025-03-25 00:48:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165617 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O5 |
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| Molecular Mass | 256.1059 |
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| SMILES | CC=CC=CC(NCC(=O)O)C(O)=NCC(=O)O |
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| InChI Key | LMZKZFWYQBDEDN-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 compoundscarboximidic acidscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarboximidic acidcarbonyl groupcarboxylic acidamino acidorganic 1,3-dipolar compoundsecondary aminepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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