| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:29 UTC |
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| Update Date | 2025-03-25 00:50:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179602 |
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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 | COc1ccc(NC(=O)OC(C)(C)C)cc1 |
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| InChI Key | DTJDZTUATTYLBB-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 | benzene and substituted derivatives |
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| Subclass | phenylcarbamic acid esters |
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| Direct Parent | phenylcarbamic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbamate esterscarbonyl compoundshydrocarbon derivativesmethoxybenzenesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethercarbonic acid derivativecarbamic acid esteralkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativephenylcarbamic acid esterorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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