| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:20 UTC |
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| Update Date | 2025-03-21 18:33:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096421 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C21H23FN2O3S |
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| Molecular Mass | 402.1413 |
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| SMILES | CC(=O)OC1C(=O)N(CCN(C)C)c2ccccc2SC1c1ccc(F)cc1 |
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| InChI Key | NCLDBVLXALEXRW-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 | benzothiazepines |
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| Subclass | benzothiazepines |
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| Direct Parent | benzothiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersamino acids and derivativesaryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acid estersfluorobenzeneshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl grouplactamamino acid or derivativesalkylarylthioethercarboxylic acid derivativeorganohalogen compoundaryl thioetherfluorobenzeneorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzothiazepinetertiary amineazacycleorganofluoridetertiary aliphatic aminecarboxamide grouparyl halidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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