| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:54 UTC |
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| Update Date | 2025-03-25 00:56:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221949 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H6ClN3O2 |
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| Molecular Mass | 223.0149 |
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| SMILES | O=c1cnn(-c2ccc(Cl)cc2)c(=O)[nH]1 |
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| InChI Key | LFPCOKWFNVKUNS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | halobenzenes |
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| Direct Parent | chlorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2,4-triazinesaryl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aryl chloridechlorobenzenecarbonic acid derivativelactamaromatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundorganohalogen compoundaryl halideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundtriazinehydrocarbon derivativeorganic nitrogen compound1,2,4-triazineorganoheterocyclic compoundorganooxygen compound |
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