| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:30 UTC |
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| Update Date | 2025-03-25 00:55:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214090 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N2O3S2 |
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| Molecular Mass | 328.0915 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc2c(c1)SCC(=O)N2 |
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| InChI Key | QXCUTCZMQCUNIN-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 compoundsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactambenzothiazinealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpara-thiazineazacycleaminosulfonyl compoundcarboxamide groupsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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