| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:29 UTC |
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| Update Date | 2025-03-21 18:35:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106630 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C11H12N2O10 |
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| Molecular Mass | 332.0492 |
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| SMILES | O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | BZQDNZXZMOLNDA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | n-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrimidinecarboxylic acidspyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidepyrimidonecarboxylic acid derivativepyran carboxylic acidn-glucuronidepyrimidinebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundoxanepyrimidine-6-carboxylic acidorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivatives |
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