| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:37 UTC |
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| Update Date | 2025-03-21 18:40:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130926 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C15H21NO9 |
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| Molecular Mass | 359.1216 |
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| SMILES | NCCc1ccc(OC2OC(C(=O)O)C(O)C(O)C(O)C2O)c(O)c1 |
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| InChI Key | JWYKSQJYNWZFJW-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxepanesphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxepaneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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