| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:43 UTC |
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| Update Date | 2025-03-21 18:32:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090074 |
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| Frequency | 31.3 |
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| Structure | |
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| Chemical Formula | C10H12N2O5 |
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| Molecular Mass | 240.0746 |
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| SMILES | NCc1[nH]cc(CC(=O)C(=O)O)c1CC(=O)O |
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| InChI Key | BIJCWIPGEJGCBF-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundketo acidpyrroleorganonitrogen compoundalpha-keto aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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