| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:57 UTC |
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| Update Date | 2025-03-25 00:48:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166966 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO3S |
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| Molecular Mass | 253.0773 |
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| SMILES | CC(=O)c1cc2c(cc1C)S(=O)(=O)NC2(C)C |
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| InChI Key | JVRCEWDQZDCSRC-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 | benzothiazoles |
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| Subclass | benzothiazoles |
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| Direct Parent | benzothiazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetophenonesaryl alkyl ketonesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesaryl alkyl ketoneazacycle1,2-benzothiazoleketoneorganosulfonic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundacetophenoneorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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