| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:25 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163392 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16ClNO2 |
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| Molecular Mass | 253.087 |
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| SMILES | O=C(Nc1ccc(Cl)cc1)OC1CCCCC1 |
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| InChI Key | YESPGXMCWHRUJO-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 | phenylcarbamic acid esters |
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| Direct Parent | phenylcarbamic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridescarbamate esterscarbonyl compoundschlorobenzeneshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aryl chloridechlorobenzenecarbonyl groupcarbonic acid derivativeorganochloridecarbamic acid esterorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativephenylcarbamic acid esterorganic nitrogen compoundhalobenzeneorganooxygen compound |
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