| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:53 UTC |
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| Update Date | 2025-03-25 00:59:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239846 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO3S |
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| Molecular Mass | 241.0773 |
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| SMILES | NCCSCC(Oc1ccccc1)C(=O)O |
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| InChI Key | IBBVJALHJHCRMU-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundssulfenyl compounds |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundsulfenyl compounddialkylthioetheraromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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