| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:09 UTC |
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| Update Date | 2025-03-21 18:05:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060152 |
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| Frequency | 52.1 |
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| Structure | |
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| Chemical Formula | C16H21NO5 |
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| Molecular Mass | 307.142 |
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| SMILES | COc1cc(CNC(=O)CCCCC=CC(=O)O)ccc1O |
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| InChI Key | BQDTVGLURPWKGT-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 ethersamino fatty acidsanisolescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidesunsaturated fatty acids |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidfatty amide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidunsaturated fatty acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidcarboxamide groupamino fatty acidmethoxybenzenen-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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