| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:45 UTC |
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| Update Date | 2025-03-21 18:33:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097437 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C12H14Cl2N2O |
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| Molecular Mass | 272.0483 |
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| SMILES | CC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 |
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| InChI Key | NBNHEVWEPFJXGC-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 | acetamidesamino acids and derivativesaniline and substituted anilinesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylaminesdichlorobenzeneshydrocarbon derivativesn-arylpiperazinesorganic oxidesorganochloridesorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesorganochloridecarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineacetamidearyl chloridechlorobenzeneazacycleaniline or substituted anilinescarboxamide grouparyl halidephenylpiperazineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneaminen-arylpiperazineorganooxygen compound |
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