| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:37 UTC |
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| Update Date | 2025-03-21 18:35:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106954 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C10H10Cl3NO2 |
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| Molecular Mass | 280.9777 |
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| SMILES | CC(=O)OC(c1ccc(N)cc1)C(Cl)(Cl)Cl |
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| InChI Key | IHYCSQUDRLALPY-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 chloridesamino acids and derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsprimary amines |
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| Substituents | benzyloxycarbonylcarbonyl groupamino acid or derivativesalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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