| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:44 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200660 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H23NO4S |
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| Molecular Mass | 385.1348 |
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| SMILES | COc1ccc(C2Sc3ccccc3C(=O)N2CCCCCC(=O)O)cc1 |
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| InChI Key | FGVXKTOHLCPORQ-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 | 1,3-thiazinesalkyl aryl ethersalkylarylthioethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amidesvinylogous thioesters |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acidheterocyclic fatty acidfatty acidbenzothiazinealkyl aryl etheralkylarylthioethercarboxylic acid derivativemedium-chain hydroxy acidaryl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundmeta-thiazinemedium-chain fatty acidvinylogous thioesterazacyclecarboxamide groupmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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