| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:41 UTC |
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| Update Date | 2025-03-21 18:03:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045004 |
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| Frequency | 75.0 |
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| Structure | |
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| Chemical Formula | C14H18N2O3S |
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| Molecular Mass | 294.1038 |
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| SMILES | CC(=O)OC1Sc2ccccc2N(CCN(C)C)C1=O |
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| InChI Key | LJBJUXZDSFTBMR-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-thiazinesamino acids and derivativesaryl thioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | carbonyl grouplactamamino acid or derivativesbenzothiazinecarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundtertiary aminepara-thiazineazacycletertiary aliphatic aminecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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