| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:18 UTC |
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| Update Date | 2025-03-21 18:38:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123049 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C10H14ClNO |
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| Molecular Mass | 199.0764 |
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| SMILES | CNC(C)C(O)c1cccc(Cl)c1 |
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| InChI Key | VFKOFEAGUOUZCB-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholsaryl chlorideschlorobenzenesdialkylamineshydrocarbon derivativesorganochloridesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholaryl chloridechlorobenzenealcoholsecondary aliphatic amineorganochloridesecondary amineorganohalogen compoundaryl halidephenylpropanearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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