| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:57 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153367 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO5S |
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| Molecular Mass | 297.0671 |
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| SMILES | COc1ccc(NC(=O)CSCCC(=O)C(=O)O)cc1 |
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| InChI Key | ACSSSWYXEQQELT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | anilides |
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| Direct Parent | anilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolescarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylphenol ethercarbonyl groupethercarboxylic acidn-arylamidealkyl aryl etherorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetheranisoleketo acidhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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