| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:52 UTC |
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| Update Date | 2025-03-25 01:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249075 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO4S |
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| Molecular Mass | 331.0878 |
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| SMILES | COc1ccc(C2Sc3cc(OC)ccc3NC2C(=O)O)cc1 |
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| InChI Key | USGKNVJSLAWYJF-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-thiazinesalkyl aryl ethersalkylarylthioethersalpha amino acidsamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alkylarylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidbenzothiazinealpha-amino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpara-thiazineazacyclesecondary aminemethoxybenzenesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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