| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:36 UTC |
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| Update Date | 2025-03-21 18:05:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056461 |
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| Frequency | 56.4 |
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| Structure | |
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| Chemical Formula | C22H21Cl2N3O4 |
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| Molecular Mass | 461.0909 |
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| SMILES | CC(=O)Nc1ccc(OCC2COC(Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 |
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| InChI Key | UHADLDRKBWCWOJ-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 | anilides |
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| Direct Parent | acetanilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesacetamidesalkyl aryl ethersaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-acetylarylaminesn-substituted imidazolesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethermeta-dioxolanecarbonyl groupethern-acetylarylaminearomatic heteromonocyclic compoundorganochloriden-arylamidealkyl aryl ethercarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxideacetalimidazoleketalorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacetamideazolen-substituted imidazolearyl chloridechlorobenzeneazacycleacetanilideheteroaromatic compoundcarboxamide grouparyl halideoxacyclesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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