| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:23 UTC |
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| Update Date | 2025-03-21 18:01:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034660 |
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| Frequency | 103.6 |
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| Structure | |
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| Chemical Formula | C13H16N2O4S |
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| Molecular Mass | 296.0831 |
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| SMILES | CC(=O)NCCc1c[nH]c2ccc(OS(C)(=O)=O)cc12 |
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| InChI Key | VEUKKCSPNCQPPE-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 derivativesmethanesulfonatesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acid esterspyrrolessecondary carboxylic acid amidessulfonic acid esterssulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupindoleorganosulfur compoundcarboxylic acid derivativesulfonic acid esterorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundacetamideazacycleheteroaromatic compoundcarboxamide grouporganosulfonic acid estermethanesulfonatesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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