| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:47 UTC |
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| Update Date | 2025-03-21 18:33:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095083 |
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| Frequency | 29.2 |
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| Structure | |
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| Chemical Formula | C12H17Cl2NO2 |
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| Molecular Mass | 277.0636 |
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| SMILES | CC(C)NCC(O)COc1cc(Cl)ccc1Cl |
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| InChI Key | NAOVAEUCWSXGAZ-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 | dichlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chloridesdialkylamineshydrocarbon derivativesorganochloridesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | phenol etheretherorganochloridealkyl aryl etherorganohalogen compoundorganonitrogen compoundorganopnictogen compoundaryl chloridealcoholsecondary aliphatic amine1,4-dichlorobenzenesecondary aminearyl halidearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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