| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:46 UTC |
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| Update Date | 2025-03-21 18:40:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131291 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C17H18N2OS |
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| Molecular Mass | 298.114 |
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| SMILES | CC(=O)NCCCN1c2ccccc2Sc2ccccc21 |
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| InChI Key | YBFYESWUEPMTDS-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 | phenothiazines |
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| Direct Parent | phenothiazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-thiazinesacetamidesamino acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdiarylthioethershydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestertiary alkylarylamines |
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| Substituents | carbonyl groupamino acid or derivativescarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundtertiary amineacetamidediarylthioetherphenothiazinepara-thiazineazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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