| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:46 UTC |
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| Update Date | 2025-03-21 18:29:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075982 |
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| Frequency | 38.8 |
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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)CC(O)C(O)Cn1ccnc1 |
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| InChI Key | WVXWYOFBGPQSNZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundimidazoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole1,2-dioln-substituted imidazole |
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