| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:56 UTC |
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| Update Date | 2025-03-21 18:00:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026522 |
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| Frequency | 144.1 |
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| Structure | |
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| Chemical Formula | C9H11N3O5 |
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| Molecular Mass | 241.0699 |
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| SMILES | Nc1ccn(C2CC(O)C(C(=O)O)O2)c(=O)n1 |
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| InChI Key | IXVVOPMSSSJGMB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidmonosaccharidepyrimidonecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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