| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:02 UTC |
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| Update Date | 2025-03-21 18:01:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031423 |
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| Frequency | 117.3 |
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| Structure | |
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| Chemical Formula | C13H16N2O5S |
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| Molecular Mass | 312.078 |
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| SMILES | COS(=O)(=O)Oc1ccc2[nH]cc(CCNC(C)=O)c2c1 |
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| InChI Key | RGGFVMAGWADRTH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalkyl sulfatesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidessulfuric acid diesters |
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| Substituents | carbonyl groupindolecarboxylic acid derivativeorganic oxidesulfuric acid diesteraromatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundacetamideazacycleheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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