| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:00 UTC |
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| Update Date | 2025-03-21 18:31:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088420 |
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| Frequency | 32.1 |
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| Structure | |
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| Chemical Formula | C7H8ClN3O5S2 |
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| Molecular Mass | 312.9594 |
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| SMILES | NS(=O)(=O)c1cc2c(cc1Cl)NCNS(=O)(=O)O2 |
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| InChI Key | XBBYBMXVDGKCNP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | secondary alkylarylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganic sulfuric acids and derivativesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compounds |
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| Substituents | organosulfonic acid or derivativesorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganopnictogen compoundorganoheterocyclic compoundaryl chlorideorganic sulfuric acid or derivativesazacycleaminosulfonyl compoundsecondary aliphatic/aromatic aminearyl halideoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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