| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:23 UTC |
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| Update Date | 2025-03-25 01:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252538 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H22N2O4S |
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| Molecular Mass | 386.13 |
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| SMILES | NC(CCCCN1C(=O)C(c2ccc(O)cc2)Sc2ccccc21)C(=O)O |
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| InChI Key | SSAOHFZFGGBLAJ-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-thiazines1-hydroxy-2-unsubstituted benzenoidsalkylarylthioethersalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouplactamcarboxylic acidheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidbenzothiazinealpha-amino acid or derivativesalkylarylthioethercarboxylic acid derivativemedium-chain hydroxy acidaryl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidpara-thiazineazacyclecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundthioetherphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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