| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:44 UTC |
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| Update Date | 2025-03-25 00:59:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235023 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O6 |
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| Molecular Mass | 298.1165 |
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| SMILES | Cc1ncc(COC(=O)CCC(N)C(=O)O)c(CO)c1O |
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| InChI Key | VERFPSQRNQNDJK-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridoxines |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridineglutamic acid or derivativespyridoxinefatty acid esterpyridineorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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