| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:06 UTC |
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| Update Date | 2025-03-25 00:50:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178750 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19N3O |
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| Molecular Mass | 281.1528 |
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| SMILES | Cc1ccccc1N1CCN(C(=O)c2cccnc2)CC1 |
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| InChI Key | JVKRTCJLWGSVTG-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 | amino acids and derivativesaminotoluenesaniline and substituted anilinesazacyclic compoundscarboxylic acids and derivativesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesn-arylpiperazinesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyridinecarboxylic acids and derivativestertiary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietyaromatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineaminotolueneazacycleaniline or substituted anilinesheteroaromatic compoundmethylpyridinecarboxamide groupphenylpiperazinepyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneaminen-arylpiperazineorganooxygen compound |
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