| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:24 UTC |
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| Update Date | 2025-03-21 18:32:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091737 |
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| Frequency | 30.6 |
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| Structure | |
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| Chemical Formula | C19H20FN3O5 |
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| Molecular Mass | 389.1387 |
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| SMILES | CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(=O)c(C(=O)O)cn1c23 |
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| InChI Key | JZUIWKMTNWMORV-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 | alkyl aryl ethersamino acidsaryl fluoridesazacyclic compoundsazepinesbenzazepinesbenzenoidsbenzoxazinescarboxylic acidscyclic ketonesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-methylpiperazinesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundstrialkylaminesvinylogous amides |
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| Substituents | aryl fluorideethercarboxylic acidamino acid or derivativesamino acidcyclic ketonealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary aminevinylogous amideazacycleorganofluoriden-alkylpiperazineheteroaromatic compoundtertiary aliphatic aminen-methylpiperazinebenzoxazinearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundazepinehydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepineaminen-arylpiperazineorganooxygen compound |
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