| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:44 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200658 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO4S |
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| Molecular Mass | 331.0878 |
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| SMILES | COc1ccc(C2Sc3ccccc3NC(C(=O)O)C2O)cc1 |
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| InChI Key | UONKUYMJSRTKPQ-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 | alkyl aryl ethersalkylarylthioethersalpha amino acidsamino acidsanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssecondary alkylarylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzothiazepinealcoholazacyclehydroxy acidsecondary aminemethoxybenzenesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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