| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:02 UTC |
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| Update Date | 2025-03-25 00:58:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231063 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H21FN2O3 |
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| Molecular Mass | 392.1536 |
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| SMILES | CCOC(=O)N1CCC(=C2c3ccc(C#N)cc3COc3cc(F)ccc32)CC1 |
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| InChI Key | IFALOZZQHNLWQD-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 | benzoxepines |
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| Subclass | dibenzoxepines |
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| Direct Parent | dibenzoxepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl fluoridesazacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundshydrocarbon derivativesnitrilesorganic carbonic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspiperidinecarboxylic acidspiperidines |
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| Substituents | aryl fluoridecarbonyl groupethernitrilealkyl aryl etherorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinedibenzoxepinecarbonitrilecarbonic acid derivativeazacycleorganofluoridecarbamic acid esteraryl halideoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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