| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:29 UTC |
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| Update Date | 2025-03-25 00:57:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223281 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10ClNO2 |
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| Molecular Mass | 187.04 |
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| SMILES | NCC(O)c1cccc(O)c1Cl |
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| InChI Key | BTKPGLJBTZYONO-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsaryl chlorideschlorobenzeneshydrocarbon derivativesmonoalkylamineso-chlorophenolsorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietyorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganonitrogen compoundorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzenealcohol1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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