| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:21 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181614 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14ClNO4 |
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| Molecular Mass | 271.0611 |
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| SMILES | O=C(O)CCCCOC(=O)Nc1ccc(Cl)cc1 |
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| InChI Key | BCLVTPVKKGUPIV-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 compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aryl chloridechlorobenzenecarbonyl groupcarbonic acid derivativecarboxylic acidorganochloridecarbamic acid estercarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativephenylcarbamic acid esterorganic nitrogen compoundhalobenzeneorganooxygen compound |
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