| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:28 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163500 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O5 |
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| Molecular Mass | 242.0903 |
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| SMILES | O=C(O)C(Nc1ccccn1)C(O)C(O)CO |
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| InChI Key | VGAIRBFPZSCDSL-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 | 2-halopyridinesamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineprimary alcoholimidolactamorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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