| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:16 UTC |
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| Update Date | 2025-03-25 00:50:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179131 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H28N2O4S |
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| Molecular Mass | 416.177 |
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| SMILES | COc1ccc(C2CC(C(=O)O)N(CCN(C)C)c3ccccc3S2)cc1OC |
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| InChI Key | OIXHTCVOTCAJOY-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 compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherdimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineo-dimethoxybenzenealpha-amino acidorganonitrogen compoundorganopnictogen compoundbenzothiazepinedialkylarylaminetertiary amineazacycletertiary aliphatic aminemethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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