| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:38 UTC |
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| Update Date | 2025-03-21 18:34:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102080 |
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| Frequency | 26.7 |
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| Structure | |
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| Chemical Formula | C20H21ClN2O2S |
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| Molecular Mass | 388.1012 |
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| SMILES | CS(=O)(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
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| InChI Key | YDDVSUDVRYZXAY-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 | benzocycloheptapyridines |
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| Subclass | benzocycloheptapyridines |
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| Direct Parent | benzocycloheptapyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganic sulfonamidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespiperidinespolyhalopyridinessulfonyls |
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| Substituents | organosulfonic acid or derivativespolyhalopyridineorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinepiperidinearyl chlorideazacycleheteroaromatic compoundmethylpyridinearyl halidesulfonylpyridineorganic oxygen compoundorganic sulfonic acid or derivativesbenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganic sulfonic acid amide |
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