| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:26 UTC |
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| Update Date | 2025-03-21 18:04:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049172 |
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| Frequency | 67.2 |
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| Structure | |
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| Chemical Formula | C9H8Cl3NO2 |
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| Molecular Mass | 266.9621 |
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| SMILES | NC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl |
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| InChI Key | IPAKZTXWLDXVSY-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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