| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:52 UTC |
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| Update Date | 2025-03-25 00:53:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198636 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O8 |
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| Molecular Mass | 330.1063 |
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| SMILES | NC(C(=O)O)C1=CN(C2OC(CO)C(O)C2O)C(C(=O)O)=CC1 |
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| InChI Key | STMMISCUOFFNKM-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydropyridinesenamineshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydropyridineprimary alcoholorganoheterocyclic compoundalcoholazacycletetrahydrofuranoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundenamine |
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