| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:04 UTC |
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| Update Date | 2025-03-21 18:00:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026822 |
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| Frequency | 142.1 |
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| Structure | |
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| Chemical Formula | C10H11NO6 |
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| Molecular Mass | 241.0586 |
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| SMILES | O=C(O)CCc1c[nH]c(C(=O)O)c1CC(=O)O |
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| InChI Key | HCHXEVXNHUOBQL-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivativesorganic oxidepyrrole-2-carboxylic acidorganic oxygen compoundpyrrole-2-carboxylic acid or derivativespyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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