| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:23 UTC |
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| Update Date | 2025-03-25 00:45:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152035 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O6 |
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| Molecular Mass | 256.0695 |
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| SMILES | NC(CC(=O)n1c(CO)ccc1C(=O)O)C(=O)O |
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| InChI Key | CSBDXEWPHQEHAS-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessubstituted pyrroles |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundsubstituted pyrroleorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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