| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:44 UTC |
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| Update Date | 2025-03-25 00:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219245 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO5S |
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| Molecular Mass | 271.0514 |
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| SMILES | COc1ccc2c(c1)CC(C(=O)O)N(C)S2(=O)=O |
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| InChI Key | JCTCWLITCZTHPB-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 | 1,2-thiazinesalkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | phenol etherorganosulfonic acid or derivativescarbonyl groupethercarboxylic acidbenzothiazinealpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundortho-thiazineazacyclemonocarboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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