| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:36 UTC |
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| Update Date | 2025-03-25 00:54:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204926 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H4ClFN2O |
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| Molecular Mass | 185.9996 |
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| SMILES | O=c1[nH]c2cc(F)c(Cl)cc2[nH]1 |
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| InChI Key | MLLYPEORWDUMKB-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 | benzimidazoles |
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| Subclass | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesaryl fluoridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aryl fluoridearyl chloridecarbonic acid derivativeazacycleorganofluorideorganochlorideheteroaromatic compoundorganohalogen compoundaryl halideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
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