| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:59 UTC |
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| Update Date | 2025-03-21 18:02:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038528 |
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| Frequency | 90.8 |
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| Structure | |
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| Chemical Formula | C8H10ClNO |
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| Molecular Mass | 171.0451 |
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| SMILES | NCC(O)c1cccc(Cl)c1 |
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| InChI Key | STJIXOUDTUPEEL-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 homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholsaryl chlorideshydrocarbon derivativesmonoalkylaminesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholaryl chloridechlorobenzenealcoholorganochlorideorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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