| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:32 UTC |
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| Update Date | 2025-03-21 18:06:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065798 |
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| Frequency | 46.5 |
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| Structure | |
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| Chemical Formula | C14H19NO7 |
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| Molecular Mass | 313.1162 |
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| SMILES | COc1cc(CCN)ccc1OC1OC(C(=O)O)C(O)C1O |
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| InChI Key | DNLKIJMTTKQRJG-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 | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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