| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:04 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160348 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15ClN2O5S2 |
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| Molecular Mass | 378.0111 |
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| SMILES | NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C(CCCCC(=O)O)S2 |
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| InChI Key | LUSYNHYHCQIYMY-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-thiazinesalkylarylthioethersaminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshalogenated fatty acidsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | fatty acylorganosulfonic acid or derivativescarbonyl grouplactamcarboxylic acidheterocyclic fatty acidorganochloridefatty acidbenzothiazinealkylarylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundaryl thioetherorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidaryl chloridehalogenated fatty acidpara-thiazineazacycleaminosulfonyl compoundcarboxamide grouparyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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