| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:16 UTC |
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| Update Date | 2025-03-21 18:06:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060460 |
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| Frequency | 51.8 |
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| Structure | |
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| Chemical Formula | C14H13ClN2O5S2 |
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| Molecular Mass | 387.9954 |
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| SMILES | COc1ccc(S(=O)(=O)c2cc3c(cc2Cl)NCNS3(=O)=O)cc1 |
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| InChI Key | LQXUFLKJHPWZCG-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 | thiadiazines |
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| Subclass | benzothiadiazines |
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| Direct Parent | 1,2,4-benzothiadiazine-1,1-dioxides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl chloridesazacyclic compoundsbenzenesulfonyl compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidesphenoxy compoundssecondary alkylarylaminessulfones |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyetherorganochloridealkyl aryl etherorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2,4-benzothiadiazine-1,1-dioxidebenzenesulfonyl grouparyl chlorideazacyclesecondary aminemethoxybenzenesecondary aliphatic/aromatic aminearyl halidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundaminesulfone |
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