| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:48 UTC |
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| Update Date | 2025-03-21 18:36:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112267 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C22H18N2O3S |
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| Molecular Mass | 390.1038 |
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| SMILES | O=CN1c2ccccc2Sc2ccccc2C1CNc1ccc(C(=O)O)cc1 |
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| InChI Key | GZTHYCJRZIKNIY-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 | dibenzothiazepines |
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| Direct Parent | dibenzothiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdiarylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylcarboxylic acid derivativearyl thioetherdibenzothiazepineorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzoic aciddiarylthioetherazacyclebenzoic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetherphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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