| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:39 UTC |
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| Update Date | 2025-03-25 00:59:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239304 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O9 |
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| Molecular Mass | 318.0699 |
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| SMILES | Cn1c(=O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)[nH]c1=O |
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| InChI Key | PJQZOJJQZQUKHO-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrimidonessecondary alcoholsvinylogous amidesvinylogous esters |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidepyrimidonecarboxylic acid derivativepyran carboxylic acidpyrimidine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativepyran carboxylic acid or derivativesazacyclevinylogous esterheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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