| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:33 UTC |
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| Update Date | 2025-03-25 00:56:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221157 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16N2O6S |
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| Molecular Mass | 388.0729 |
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| SMILES | O=C(O)C1ON(C2=Nc3ccccc3Sc3ccccc32)C(O)C(O)C1O |
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| InChI Key | DACIBZNVDRNOIJ-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 | 1,2-diols1,2-oxazinanesalkanolaminesamidinesazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdiarylthioethershydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidamidine1,2-oxazinanecarboxylic acid derivativearyl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepinebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamalkanolaminediarylthioether1,2-diolalcoholazacycleorganic 1,3-dipolar compoundhydroxy acidoxazinaneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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