| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:55 UTC |
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| Update Date | 2025-03-21 18:32:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093032 |
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| Frequency | 56.9 |
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| Structure | |
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| Chemical Formula | C11H11NO3S |
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| Molecular Mass | 237.046 |
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| SMILES | O=C(O)CCC1Sc2ccccc2N=C1O |
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| InChI Key | CIIZCVMHELVRTD-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 acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidbenzothiazinealkylarylthioethercarboxylic acid derivativearyl thioetherpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpara-thiazineazacycleorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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