| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:39 UTC |
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| Update Date | 2025-03-25 00:51:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184492 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N4O8 |
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| Molecular Mass | 358.1125 |
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| SMILES | NC(Cc1cn(C2(C(=O)O)CC(O)C(N)C(C(=O)O)O2)cn1)C(=O)O |
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| InChI Key | YDARDFMYVYEVIN-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 | alpha amino acidsazacyclic compoundsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdelta amino acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtricarboxylic acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acidn-glucuronideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesoxaneorganoheterocyclic compoundazolen-substituted imidazolealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundbeta amino acid or derivativesoxacyclepyransecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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