| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:47 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200783 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H23FN2O6 |
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| Molecular Mass | 430.154 |
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| SMILES | COc1ccc2nc(-c3ccc(F)cc3)n(CCC(O)CC(O)CC(=O)O)c(=O)c2c1 |
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| InChI Key | CUBHQMQJESLABP-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 | diazanaphthalenes |
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| Subclass | benzodiazines |
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| Direct Parent | quinazolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdiazanaphthalenesfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrimidonessecondary alcohols |
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| Substituents | aryl fluoridefatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acidheterocyclic fatty acidfatty acidpyrimidonealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidpyrimidinebeta-hydroxy acidfluorobenzeneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholhalogenated fatty acidazacycleorganofluorideheteroaromatic compoundhydroxy acidaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenequinazolineorganooxygen compound |
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