| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:09 UTC |
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| Update Date | 2025-03-21 18:32:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093586 |
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| Frequency | 29.8 |
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| Structure | |
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| Chemical Formula | C13H17NO6 |
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| Molecular Mass | 283.1056 |
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| SMILES | NCCc1ccc(OC2OC(C(=O)O)C(O)C2O)cc1 |
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| InChI Key | WXEHKHFSUVRQHI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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