| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:58 UTC |
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| Update Date | 2025-03-21 18:41:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133992 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C8H11NO3S2 |
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| Molecular Mass | 233.018 |
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| SMILES | NCCc1ccc(OS(=O)(=O)S)cc1 |
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| InChI Key | IXBGILREKGOYST-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 | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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