| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:29 UTC |
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| Update Date | 2025-03-21 18:36:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109120 |
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| Frequency | 24.5 |
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| Structure | |
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| Chemical Formula | C13H18N2OS |
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| Molecular Mass | 250.114 |
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| SMILES | CN(C)CCCN1C(=O)CSc2ccccc21 |
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| InChI Key | VPUSCFGKAQSUAA-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 | benzothiazines |
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| Subclass | benzothiazines |
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| Direct Parent | benzothiazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-thiazinesalkylarylthioethersamino acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | carbonyl grouplactamamino acid or derivativesbenzothiazinealkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundtertiary aminepara-thiazineazacycletertiary aliphatic aminecarboxamide grouporganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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