| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:54 UTC |
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| Update Date | 2025-03-21 17:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021807 |
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| Frequency | 258.5 |
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| Structure | |
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| Chemical Formula | C10H9NO3S |
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| Molecular Mass | 223.0303 |
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| SMILES | O=C(O)CC1Sc2ccccc2N=C1O |
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| InChI Key | QWXLTZQRYJBZQT-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-thiazinesalkylarylthioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl grouppara-thiazinecarboxylic acidazacyclebenzothiazineorganic 1,3-dipolar compoundalkylarylthioethercarboxylic acid derivativearyl thioetherpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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