| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:23 UTC |
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| Update Date | 2025-03-25 00:49:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174772 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18ClNO2 |
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| Molecular Mass | 255.1026 |
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| SMILES | CCCC(O)CCC(O)=Nc1ccc(Cl)cc1 |
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| InChI Key | DBFPYVSVRICAMV-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 | aryl chloridescarboximidic acidshydrocarbon derivativesorganochloridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | aryl chloridechlorobenzenealcoholcarboximidic acidorganochlorideorganic 1,3-dipolar compoundorganohalogen compoundaryl halidepropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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