| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:33 UTC |
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| Update Date | 2025-03-25 01:00:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246080 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO4S |
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| Molecular Mass | 241.0409 |
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| SMILES | CC1CNc2ccc(C(=O)O)cc2S1(=O)=O |
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| InChI Key | CHZOEQZVSNRWCH-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-thiazinesamino acidsazacyclic compoundsbenzenoidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary alkylarylaminessulfones |
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| Substituents | para-thiazinecarboxylic acidazacycleamino acid or derivativesamino acidbenzothiazinesecondary aminecarboxylic acid derivativesecondary aliphatic/aromatic amineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundsulfone |
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