| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:29 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220980 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5NO2S |
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| Molecular Mass | 179.0041 |
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| SMILES | O=C(O)c1cccc2ncsc12 |
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| InChI Key | ORSZGLLQNYSMNO-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 | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsthiazoles |
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| Substituents | 1,3-benzothiazolecarboxylic acidazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundorganic nitrogen compoundthiazoleorganooxygen compoundazole |
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