| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:11 UTC |
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| Update Date | 2025-03-25 00:45:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151540 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21N3O9 |
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| Molecular Mass | 375.1278 |
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| SMILES | Cn1cncc1CC(NC(=O)OC1C(O)OC(CO)C(O)C1O)C(=O)O |
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| InChI Key | NBWYSQPYWRKVKZ-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbamate esterscarbonyl compoundscarboxylic acidshemiacetalsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidesaccharideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholcarbonic acid derivativeazacycleheteroaromatic compoundcarbamic acid esteroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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