| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:17 UTC |
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| Update Date | 2025-03-25 00:59:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238455 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O4 |
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| Molecular Mass | 200.0797 |
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| SMILES | O=C(O)C(O)COCCn1ccnc1 |
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| InChI Key | KALOYYQIARFJCI-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 | sugar acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidmonosaccharidecarboxylic acid derivativedialkyl etherorganic oxideglyceric_acidimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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