| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:39 UTC |
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| Update Date | 2025-03-25 00:59:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239271 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H5ClN2O3 |
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| Molecular Mass | 259.9989 |
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| SMILES | N#Cc1c(Cl)c(C#N)c2cc(O)c(O)cc2c1O |
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| InChI Key | AJMOACRNRLVCRW-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 | naphthalenes |
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| Subclass | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chlorideschloronaphthaleneshydrocarbon derivativesnitrilesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aryl chloridenitrileorganochloridechloronaphthalene1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundorganohalogen compoundaryl halideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-naphtholorganic nitrogen compound2-naphtholcarbonitrileorganooxygen compound |
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