| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:36 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250773 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O5 |
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| Molecular Mass | 266.0903 |
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| SMILES | O=C(O)CC(N=C(O)CCc1ccccn1)C(=O)O |
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| InChI Key | UVUQUHXUYXTCAD-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsazacyclic compoundscarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridineorganic 1,3-dipolar compoundpyridineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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