| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:21 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179320 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO4S |
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| Molecular Mass | 269.0722 |
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| SMILES | COc1ccc(C2CSCC(C(=O)O)N2)cc1O |
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| InChI Key | HGEJCNATIXYDOQ-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 | thiazinanes |
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| Subclass | thiomorpholines |
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| Direct Parent | phenylthiomorpholines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsthiomorpholine carboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivative3-phenylthiomorpholineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiomorpholine-3-carboxylic acidsecondary aliphatic amineazacycledialkylthioether1-hydroxy-4-unsubstituted benzenoidsecondary aminemethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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