| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:53 UTC |
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| Update Date | 2025-03-25 00:54:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205546 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O2S |
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| Molecular Mass | 250.0776 |
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| SMILES | NCCS(=O)(=O)c1ccc(-n2cccc2)cc1 |
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| InChI Key | SZLHVVOFEWURRN-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 | benzenesulfonyl compounds |
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| Direct Parent | benzenesulfonyl compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrrolessulfones |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrroleorganosulfur compoundorganic oxidesulfonylorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundsulfonebenzenesulfonyl group |
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