| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:29 UTC |
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| Update Date | 2025-03-21 18:02:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039664 |
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| Frequency | 87.6 |
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| Structure | |
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| Chemical Formula | C12H15N3O4S |
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| Molecular Mass | 297.0783 |
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| SMILES | CC(=O)NCCc1c[nH]c2ccc(OS(N)(=O)=O)cc12 |
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| InChI Key | OZSJAKBKCSSPJD-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 | acetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl grouporganic sulfuric acid or derivativesazacycleindoleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundacetamideorganooxygen compound |
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