| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:00 UTC |
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| Update Date | 2025-03-21 17:59:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024297 |
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| Frequency | 167.8 |
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| Structure | |
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| Chemical Formula | C10H13NO3 |
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| Molecular Mass | 195.0895 |
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| SMILES | COc1cc(CCC(N)=O)ccc1O |
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| InChI Key | PCEBPEYJBYEAJP-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 ethersanisolescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherfatty amide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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