| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:29 UTC |
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| Update Date | 2025-03-21 18:33:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096807 |
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| Frequency | 28.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O3S |
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| Molecular Mass | 254.0725 |
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| SMILES | CN(C)CCN1C(=O)c2ccccc2S1(=O)=O |
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| InChI Key | YHEXRGFNBJPKMC-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 | benzothiazoles |
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| Subclass | benzothiazoles |
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| Direct Parent | benzothiazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acids and derivativestrialkylamines |
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| Substituents | organosulfonic acid or derivativesazacycleamino acid or derivativestertiary aliphatic aminecarboxylic acid derivative1,2-benzothiazoleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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