| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:03 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201388 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO7 |
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| Molecular Mass | 299.1005 |
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| SMILES | COc1cc(CNC(=O)C(O)CC(O)C(=O)O)ccc1O |
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| InChI Key | ANABGYZIYSDSEY-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acidfatty amide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholhydroxy acidcarboxamide groupmethoxybenzenen-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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