| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:43 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219211 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O3 |
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| Molecular Mass | 224.1161 |
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| SMILES | COc1ccc(N)c(C(=O)CC(O)CN)c1 |
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| InChI Key | QXABHUXEKRJYCX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenoneshydrocarbon derivativesmethoxybenzenesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylbutylaminessecondary alcoholsvinylogous amides |
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| Substituents | beta-hydroxy ketonephenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl etherorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidemethoxybenzenebutyrophenonearomatic homomonocyclic compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
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