| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:51 UTC |
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| Update Date | 2025-03-21 18:02:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040540 |
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| Frequency | 85.2 |
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| Structure | |
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| Chemical Formula | C12H14N2O4S |
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| Molecular Mass | 282.0674 |
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| SMILES | CC(=O)NCCc1c[nH]c2ccc(S(=O)(=O)O)cc12 |
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| InChI Key | XSMNQZBRFOBIMK-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsacetamidesarylsulfonic acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidspyrrolessecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupindoleorganosulfonic acidorganosulfur compoundcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundacetamide1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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