| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:32 UTC |
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| Update Date | 2025-03-25 00:59:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239035 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO6 |
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| Molecular Mass | 297.1212 |
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| SMILES | NC(C(=O)OC1CC(O)C(O)C(O)C1O)c1ccccc1 |
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| InChI Key | OEVHLVPDOQBPIL-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 acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscyclitols and derivativescyclohexanolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupalpha-amino acid estercyclohexanolcyclitol or derivativescyclic alcoholaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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