| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:38 UTC |
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| Update Date | 2025-03-21 18:00:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028150 |
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| Frequency | 134.1 |
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| Structure | |
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| Chemical Formula | C13H18N2O2 |
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| Molecular Mass | 234.1368 |
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| SMILES | COc1ccc(N2CCN(C(C)=O)CC2)cc1 |
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| InChI Key | AVCQLYXAEKNILW-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 | acetamidesalkyl aryl ethersamino acids and derivativesaminophenyl ethersaniline and substituted anilinesanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylamineshydrocarbon derivativesmethoxybenzenesn-arylpiperazinesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethertertiary amineacetamideazacycleaniline or substituted anilinescarboxamide groupmethoxybenzenephenylpiperazineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundaminen-arylpiperazineorganooxygen compound |
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