| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:12 UTC |
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| Update Date | 2025-03-25 00:58:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233744 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6ClNO2 |
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| Molecular Mass | 183.0087 |
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| SMILES | N#Cc1c(O)ccc(CO)c1Cl |
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| InChI Key | DXVWBPHLSNOMDJ-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 | phenols |
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| Subclass | halophenols |
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| Direct Parent | halophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsaryl chloridesbenzonitrilesbenzyl alcoholschlorobenzeneshydrocarbon derivativesm-chlorophenolsnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic alcoholmonocyclic benzene moietynitrileorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloridechlorobenzenealcohol3-halophenol3-chlorophenolbenzyl alcoholbenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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