| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:40 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200500 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O3 |
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| Molecular Mass | 234.1004 |
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| SMILES | COc1ccc(N2CC(=O)N(C)CC2=O)cc1 |
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| InChI Key | HDSCFSIWSGBAFI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazinanes |
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| Subclass | piperazines |
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| Direct Parent | phenylpiperazines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,5-dioxopiperazinesalkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesn-arylpiperazinesn-methylpiperazinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamaromatic heteromonocyclic compoundalpha-amino acid or derivativesalkyl aryl ether2,5-dioxopiperazinecarboxylic acid derivativeorganic oxidedioxopiperazinetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundazacyclen-alkylpiperazinen-methylpiperazinecarboxamide groupmethoxybenzenephenylpiperazineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundn-arylpiperazineorganooxygen compound |
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