| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:32 UTC |
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| Update Date | 2025-03-25 00:46:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154754 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18FN3O4 |
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| Molecular Mass | 347.1281 |
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| SMILES | CC(=O)N1CCN(c2c(F)cc3c4c2OCC(C)N4C(=O)C3=O)CC1 |
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| InChI Key | RHJYRCQRKLVXDB-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 | acetamidesalkyl aryl ethersamino acids and derivativesaryl fluoridesaryl ketonesazacyclic compoundsbenzenoidsbenzomorpholinesbenzoxazinescarboxylic acids and derivativesdialkylarylamineshydrocarbon derivativesindoleslactamsorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundstertiary carboxylic acid amidesvinylogous amides |
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| Substituents | aryl fluoridecarbonyl groupetherlactamamino acid or derivativesindolealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundbenzomorpholineketoneorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineacetamidevinylogous amideazacycleorganofluorideindole or derivativesbenzoxazinecarboxamide groupoxazinanearyl halideoxacyclemorpholineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compoundaryl ketone |
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