| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:54 UTC |
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| Update Date | 2025-03-21 17:59:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019550 |
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| Frequency | 270.6 |
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| Structure | |
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| Chemical Formula | C7H5NO3S |
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| Molecular Mass | 182.999 |
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| SMILES | O=C1Nc2ccccc2S1(=O)=O |
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| InChI Key | IVDAUUXZWLLYFL-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 | azacyclic compoundsbenzenoidscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfonesthiazolesthiolactones |
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| Substituents | 1,3-benzothiazolecarbonyl groupcarbonic acid derivativeazacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundbenzo-thiazoleorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundthiazolethiolactoneorganooxygen compoundsulfone |
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