| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:11 UTC |
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| Update Date | 2025-03-25 00:49:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176635 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16FN3O |
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| Molecular Mass | 261.1277 |
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| SMILES | CC(=O)N1CCN(c2cc3[nH]ccc3cc2F)CC1 |
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| InChI Key | KMLRAWSOHBFFIB-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 | n-arylpiperazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesaryl fluoridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganofluoridesorganopnictogen compoundspyrrolestertiary carboxylic acid amides |
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| Substituents | aryl fluoridecarbonyl groupamino acid or derivativesindolecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineacetamideazacycleorganofluorideheteroaromatic compoundindole or derivativescarboxamide grouparyl halideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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