| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:00 UTC |
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| Update Date | 2025-03-21 18:31:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088428 |
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| Frequency | 32.1 |
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| Structure | |
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| Chemical Formula | C12H16N2O3 |
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| Molecular Mass | 236.1161 |
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| SMILES | COc1cc(CC2CC(N)C(=O)N2)ccc1O |
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| InChI Key | OIISNAHJOAQZAP-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonephenol ethermonocyclic benzene moietycarbonyl groupetherlactamaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclecarboxamide groupmethoxybenzenesecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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