| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:07 UTC |
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| Update Date | 2025-03-21 18:03:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043620 |
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| Frequency | 77.9 |
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| Structure | |
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| Chemical Formula | C6H5NO5 |
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| Molecular Mass | 171.0168 |
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| SMILES | O=C=C=C(NCC(=O)O)C(=O)O |
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| InChI Key | UPXUQHYSGPBXTA-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 acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidfatty acidsecondary amineunsaturated fatty acidorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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