| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:15 UTC |
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| Update Date | 2025-03-25 00:47:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163016 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO3 |
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| Molecular Mass | 223.1208 |
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| SMILES | O=C(CCCc1cccc(O)c1)NCCO |
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| InChI Key | OEGAFGAYROQNCQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | n-acylethanolamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalcohols and polyolsalkanolaminesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupfatty amide1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupn-acylethanolaminecarboxylic acid derivativen-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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