| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:31 UTC |
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| Update Date | 2025-03-25 00:55:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214128 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16Cl3NO2 |
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| Molecular Mass | 323.0247 |
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| SMILES | CCCCNC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl |
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| InChI Key | NZDHQJUJLLOERO-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 | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl chloridescarbamate esterscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | benzyloxycarbonylcarbonyl groupcarbonic acid derivativealkyl chlorideorganochloridecarbamic acid esterorganohalogen compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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