| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:08 UTC |
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| Update Date | 2025-03-21 17:57:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006451 |
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| Frequency | 799.9 |
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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)COc1ccc(Cl)cc1Cl |
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| InChI Key | CKXVUQMSIUHNFE-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 compound1,3-dichlorobenzeneorganonitrogen compoundorganopnictogen compoundaryl chloridealcoholsecondary aliphatic aminesecondary aminearyl halidearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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