| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:39 UTC |
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| Update Date | 2025-03-21 18:05:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058957 |
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| Frequency | 53.4 |
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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 | COc1ccc(C(O)CCNC(C)=O)cc1 |
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| InChI Key | KXQGRDIHUJKQDP-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 homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersaromatic alcoholscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupetheralkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidealcoholcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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