| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:37 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186779 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O4S |
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| Molecular Mass | 272.0831 |
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| SMILES | Nc1ccccc1CCC(O)=NCCS(=O)(=O)O |
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| InChI Key | GAGYGGFXUZEGBX-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carboximidic acidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidsprimary aminespropargyl-type 1,3-dipolar organic compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativescarboximidic acidmonocyclic benzene moietyorganosulfonic acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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