| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:33 UTC |
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| Update Date | 2025-03-25 00:53:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197878 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO7 |
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| Molecular Mass | 231.0379 |
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| SMILES | O=C(O)C=C(O)C(CC(=O)O)=NCC(=O)O |
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| InChI Key | UUEAQXLWYQQGIJ-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminestricarboxylic acids and derivativesvinylogous acids |
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| Substituents | aliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidiminetricarboxylic acid or derivativesorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundsecondary ketiminevinylogous acidorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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