| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:58 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153415 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO4S |
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| Molecular Mass | 295.0878 |
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| SMILES | COc1ccc2c(c1)NC(=O)C(CCCCC(=O)O)S2 |
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| InChI Key | IOVGRHNEBNBETN-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-thiazinesalkyl aryl ethersalkylarylthioethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethercarbonyl groupetherlactamcarboxylic acidheterocyclic fatty acidfatty acidbenzothiazinealkyl aryl etheralkylarylthioethercarboxylic acid derivativemedium-chain hydroxy acidaryl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidpara-thiazineazacyclecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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