| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:08 UTC |
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| Update Date | 2025-03-21 18:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031669 |
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| Frequency | 116.1 |
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| Structure | |
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| Chemical Formula | C16H23N5O6 |
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| Molecular Mass | 381.1648 |
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| SMILES | NC(CCCNc1nc2cccn(C3OC(CO)C(O)C3O)c-2n1)C(=O)O |
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| InChI Key | SFGYFKPPTMLVCV-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 heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholssecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acidpolyhalopyridinemonosaccharideimidazopyridinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineprimary alcoholorganoheterocyclic compoundazolealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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