| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:24 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223106 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H30N3O10+ |
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| Molecular Mass | 472.1926 |
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| SMILES | NC(CCCC[n+]1ccc(C2OC(C(=O)O)C(O)C(O)C2O)c(CC(N)C(=O)O)c1)C(=O)O |
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| InChI Key | LJZMNFIUQNGUEG-UHFFFAOYSA-O |
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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 | c-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinemonosaccharidetricarboxylic acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationoxaneorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclepyridinepyransecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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