| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:11:54 UTC |
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| Update Date | 2025-03-25 01:45:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02506824 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C2H2ClN3O |
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| Molecular Mass | 118.9886 |
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| SMILES | O=c1[nH]nc(Cl)[nH]1 |
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| InChI Key | QTCHAFLCTXFFIZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | aryl halides |
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| Subclass | aryl chlorides |
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| Direct Parent | aryl chlorides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstriazoles |
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| Substituents | aryl chloridetriazolecarbonic acid derivativearomatic heteromonocyclic compound1,2,4-triazoleazacycleorganochlorideheteroaromatic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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